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

Systemtic Name: 4-[[4-(2-carboxyethyl)phenyl]methyl]-3-dodecanoyl-1H-indole-2-carboxylic acid Openeye Name: 4-[[4-(2-carboxyethyl)phenyl]methyl]-3-dodecanoyl-1H-indole-2-carboxylic acid CAS Name: 4-[[4-(2-carboxyethyl)phenyl]methyl]-3-(1-oxododecyl)-1H-indole-2-carboxylic acid IUPAC Name: 4-[[4-(2-carboxyethyl)phenyl]methyl]-3-dodecanoyl-1H-indole-2-carboxylic acid Traditional Name: 4-[4-(2-carboxyethyl)benzyl]-3-lauroyl-1H-indole-2-carboxylic acid Formula: C31H39NO5 MolecularWeight: 505.64506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(NC2=CC=CC(=C21)CC3=CC=C(C=C3)CCC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(NC2=CC=CC(=C21)CC3=CC=C(C=C3)CCC(=O)O)C(=O)O

InChI

InChI=1S/C31H39NO5/c1-2-3-4-5-6-7-8-9-10-14-26(33)29-28-24(12-11-13-25(28)32-30(29)31(36)37)21-23-17-15-22(16-18-23)19-20-27(34)35/h11-13,15-18,32H,2-10,14,19-21H2,1H3,(H,34,35)(H,36,37)