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Chemical ID: 7452008

CCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCOCCO)c3ccc(cc3OC)OC)O

Chemical ID:

7452008

Name [?]:

5-(2,4-dimethoxyphenyl)-4-[(4-ethoxyphenyl)-hydroxy-methylene]-1-[2-(2-hydroxyethoxy)ethyl]pyrrolidine-2,3-dione

SMILES [?]:

CCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCOCCO)c3ccc(cc3OC)OC)O

InChi [?]:

InChI=1/C25H29NO8/c1-4-34-17-7-5-16(6-8-17)23(28)21-22(19-10-9-18(31-2)15-20(19)32-3)26(25(30)24(21)29)11-13-33-14-12-27/h5-10,15,22,27-28H,4,11-14H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,33,31,2,6,8,5,9,26,25,18,22,19,21,28,7,4,27,24,29,11,12,10,16,14,13,23,34,17,15,32,30,20,3/E:(5,6)(7,8)/rA:34cCCOCCCCCCCCCNCOCOCCOCCOCCCCCCOCOCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;s13;d14;s11s14;d16;s13;s18;s19;s20;s21;s22;s12;s24;d25;s26;d27;d24s28;s29;s30;s27;s32;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₉NO₈
All Atoms:	63
Heavy Atoms:	34
Chiral Atoms:	None

ZAP Information [?]

Total:	6.53984
Area:	673.353
Solvation:	-10.294
Coulombic:	-87.8206

Bond Count [?]

All:	36
Single:	27
Double:	9
Rotors:	11
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.82
LogP (Chemaxon):	None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value