3-(2,5-dimethoxyphenyl)carbonyl-1-(phenylmethyl)indole-2-carboxylic acid

Systemtic Name: 3-(2,5-dimethoxyphenyl)carbonyl-1-(phenylmethyl)indole-2-carboxylic acid Openeye Name: 1-benzyl-3-(2,5-dimethoxybenzoyl)indole-2-carboxylic acid CAS Name: 3-[(2,5-dimethoxyphenyl)-oxomethyl]-1-(phenylmethyl)-2-indolecarboxylic acid IUPAC Name: 1-benzyl-3-(2,5-dimethoxybenzoyl)indole-2-carboxylic acid Traditional Name: 1-benzyl-3-(2,5-dimethoxybenzoyl)indole-2-carboxylic acid Formula: C25H21NO5 MolecularWeight: 415.43794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)C2=C(N(C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)C2=C(N(C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H21NO5/c1-30-17-12-13-21(31-2)19(14-17)24(27)22-18-10-6-7-11-20(18)26(23(22)25(28)29)15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,28,29)