1-[[2-(4-carboxyphenyl)phenyl]methyl]-3-dodecanoyl-indole-2-carboxylic acid

Systemtic Name: 1-[[2-(4-carboxyphenyl)phenyl]methyl]-3-dodecanoyl-indole-2-carboxylic acid Openeye Name: 1-[[2-(4-carboxyphenyl)phenyl]methyl]-3-dodecanoyl-indole-2-carboxylic acid CAS Name: 1-[[2-(4-carboxyphenyl)phenyl]methyl]-3-(1-oxododecyl)-2-indolecarboxylic acid IUPAC Name: 1-[[2-(4-carboxyphenyl)phenyl]methyl]-3-dodecanoylindole-2-carboxylic acid Traditional Name: 1-[2-(4-carboxyphenyl)benzyl]-3-lauroyl-indole-2-carboxylic acid Formula: C35H39NO5 MolecularWeight: 553.68786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3C4=CC=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3C4=CC=C(C=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C35H39NO5/c1-2-3-4-5-6-7-8-9-10-19-31(37)32-29-17-13-14-18-30(29)36(33(32)35(40)41)24-27-15-11-12-16-28(27)25-20-22-26(23-21-25)34(38)39/h11-18,20-23H,2-10,19,24H2,1H3,(H,38,39)(H,40,41)