4-[[2,3-dimethyl-1-(phenylmethyl)indol-5-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[2,3-dimethyl-1-(phenylmethyl)indol-5-yl]carbonylamino]benzoic acid Openeye Name: 4-[(1-benzyl-2,3-dimethyl-indole-5-carbonyl)amino]benzoic acid CAS Name: 4-[[[2,3-dimethyl-1-(phenylmethyl)-5-indolyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(1-benzyl-2,3-dimethylindole-5-carbonyl)amino]benzoic acid Traditional Name: 4-[(1-benzyl-2,3-dimethyl-indole-5-carbonyl)amino]benzoic acid Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H22N2O3/c1-16-17(2)27(15-18-6-4-3-5-7-18)23-13-10-20(14-22(16)23)24(28)26-21-11-8-19(9-12-21)25(29)30/h3-14H,15H2,1-2H3,(H,26,28)(H,29,30)