1-[2-(4-carboxy-2,6-dimethyl-phenoxy)ethyl]-3-dodecanoyl-indole-2-carboxylic acid

Systemtic Name: 1-[2-(4-carboxy-2,6-dimethyl-phenoxy)ethyl]-3-dodecanoyl-indole-2-carboxylic acid Openeye Name: 1-[2-(4-carboxy-2,6-dimethyl-phenoxy)ethyl]-3-dodecanoyl-indole-2-carboxylic acid CAS Name: 1-[2-(4-carboxy-2,6-dimethylphenoxy)ethyl]-3-(1-oxododecyl)-2-indolecarboxylic acid IUPAC Name: 1-[2-(4-carboxy-2,6-dimethylphenoxy)ethyl]-3-dodecanoylindole-2-carboxylic acid Traditional Name: 1-[2-(4-carboxy-2,6-dimethyl-phenoxy)ethyl]-3-lauroyl-indole-2-carboxylic acid Formula: C32H41NO6 MolecularWeight: 535.67104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)CCOC3=C(C=C(C=C3C)C(=O)O)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=C(N(C2=CC=CC=C21)CCOC3=C(C=C(C=C3C)C(=O)O)C)C(=O)O

InChI

InChI=1S/C32H41NO6/c1-4-5-6-7-8-9-10-11-12-17-27(34)28-25-15-13-14-16-26(25)33(29(28)32(37)38)18-19-39-30-22(2)20-24(31(35)36)21-23(30)3/h13-16,20-21H,4-12,17-19H2,1-3H3,(H,35,36)(H,37,38)