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Chemical ID: 7456760

CCCCOc1cccc(c1)C2C(=C(c3ccc4c(c3)OCCO4)O)C(=O)C(=O)N2CCc5ccccc5

Chemical ID:

7456760

Name [?]:

5-(3-butoxyphenyl)-4-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl-hydroxy-methylene)-1-phenethyl-pyrrolidine-2,3-dione

SMILES [?]:

CCCCOc1cccc(c1)C2C(=C(c3ccc4c(c3)OCCO4)O)C(=O)C(=O)N2CCc5ccccc5

InChi [?]:

InChI=1/C31H31NO6/c1-2-3-16-36-24-11-7-10-22(19-24)28-27(29(33)23-12-13-25-26(20-23)38-18-17-37-25)30(34)31(35)32(28)15-14-21-8-5-4-6-9-21/h4-13,19-20,28,33H,2-3,14-18H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,3,36,35,37,8,34,38,9,7,16,17,32,31,4,23,22,11,20,33,10,15,6,18,19,13,12,14,26,28,30,25,27,29,5,24,21/E:(5,6)(8,9)/rA:38cCCCCOCCCCCCCCCCCCCCCOCCOOCOCONCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s22;s18s23;s14;s13;d26;s26;d28;s12s28;s30;s31;s32;s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₁H₃₁NO₆
All Atoms:	69
Heavy Atoms:	38
Chiral Atoms:	None

ZAP Information [?]

Total:	11.9213
Area:	743.964
Solvation:	-6.67778
Coulombic:	-69.6364

Bond Count [?]

All:	42
Single:	30
Double:	12
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.31
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value