4-[[2-[5-chloranyl-1-(diphenylmethyl)-2-methyl-indol-3-yl]ethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-[5-chloranyl-1-(diphenylmethyl)-2-methyl-indol-3-yl]ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(1-benzhydryl-5-chloro-2-methyl-indol-3-yl)acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-[5-chloro-1-(diphenylmethyl)-2-methyl-3-indolyl]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(1-benzhydryl-5-chloro-2-methylindol-3-yl)acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-(1-benzhydryl-5-chloro-2-methyl-indol-3-yl)acetyl]amino]methyl]benzoic acid Formula: C32H27ClN2O3 MolecularWeight: 523.02138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(C3=CC=CC=C3)C4=CC=CC=C4)C=CC(=C2)Cl)CC(=O)NCC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C(C3=CC=CC=C3)C4=CC=CC=C4)C=CC(=C2)Cl)CC(=O)NCC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C32H27ClN2O3/c1-21-27(19-30(36)34-20-22-12-14-25(15-13-22)32(37)38)28-18-26(33)16-17-29(28)35(21)31(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-18,31H,19-20H2,1H3,(H,34,36)(H,37,38)