1-[2-(4-carboxy-2-methyl-phenoxy)ethyl]-3-dodecanoyl-indole-2-carboxylic acid

Systemtic Name: 1-[2-(4-carboxy-2-methyl-phenoxy)ethyl]-3-dodecanoyl-indole-2-carboxylic acid Openeye Name: 1-[2-(4-carboxy-2-methyl-phenoxy)ethyl]-3-dodecanoyl-indole-2-carboxylic acid CAS Name: 1-[2-(4-carboxy-2-methylphenoxy)ethyl]-3-(1-oxododecyl)-2-indolecarboxylic acid IUPAC Name: 1-[2-(4-carboxy-2-methylphenoxy)ethyl]-3-dodecanoylindole-2-carboxylic acid Traditional Name: 1-[2-(4-carboxy-2-methyl-phenoxy)ethyl]-3-lauroyl-indole-2-carboxylic acid Formula: C31H39NO6 MolecularWeight: 521.64446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)CCOC3=C(C=C(C=C3)C(=O)O)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)CCOC3=C(C=C(C=C3)C(=O)O)C)C(=O)O

InChI

InChI=1S/C31H39NO6/c1-3-4-5-6-7-8-9-10-11-16-26(33)28-24-14-12-13-15-25(24)32(29(28)31(36)37)19-20-38-27-18-17-23(30(34)35)21-22(27)2/h12-15,17-18,21H,3-11,16,19-20H2,1-2H3,(H,34,35)(H,36,37)