Chemical ID: 6154571

CCCOc1ccc(cc1OC)C=CC(=O)Oc2ccc(cc2OC)C=C(C#N)C(=O)OC
Chemical ID:
6154571
Name [?]:
methyl 2-cyano-3-[3-methoxy-4-[3-(3-methoxy-4-propoxy-phenyl)prop-2-enoyloxy]phenyl]-prop-2-enoate
SMILES [?]:
CCCOc1ccc(cc1OC)C=CC(=O)Oc2ccc(cc2OC)C=C(C#N)C(=O)OC
InChi [?]:
InChI=1/C25H25NO7/c1-5-12-32-20-9-6-17(14-22(20)29-2)8-11-24(27)33-21-10-7-18(15-23(21)30-3)13-19(16-26)25(28)31-4/h6-11,13-15H,5,12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,12,25,33,2,7,20,13,6,19,14,3,26,9,22,28,8,21,27,5,18,10,23,15,30,29,16,31,11,24,32,4,17/rA:33nCCCOCCCCCCOCCCCOOCCCCCCOCCCCNCOOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;w13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s24;s21;w26;s27;t28;s27;d30;s30;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H25NO7
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:9.59973
Area:716.8
Solvation:-8.32027
Coulombic:-63.8676
Bond Count [?]
All:34
Single:23
Double:10
Rotors:12
Chiral:2
Rigid Segments:11
Chemical Properties
Molecular Weight:451.469
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:4.22
LogP (Chemaxon):3.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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