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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)CC3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)CC3=CC=CC(=C3)C4=CC=C(C=C4)C(=O)O)C(=O)O

InChI

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