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

Systemtic Name: 4-[[3-[5-chloranyl-1-(diphenylmethyl)-2-methyl-indol-3-yl]propanoylamino]methyl]benzoic acid Openeye Name: 4-[[3-(1-benzhydryl-5-chloro-2-methyl-indol-3-yl)propanoylamino]methyl]benzoic acid CAS Name: 4-[[[3-[5-chloro-1-(diphenylmethyl)-2-methyl-3-indolyl]-1-oxopropyl]amino]methyl]benzoic acid IUPAC Name: 4-[[3-(1-benzhydryl-5-chloro-2-methylindol-3-yl)propanoylamino]methyl]benzoic acid Traditional Name: 4-[[3-(1-benzhydryl-5-chloro-2-methyl-indol-3-yl)propanoylamino]methyl]benzoic acid Formula: C33H29ClN2O3 MolecularWeight: 537.04796

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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)CCC(=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)CCC(=O)NCC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C33H29ClN2O3/c1-22-28(17-19-31(37)35-21-23-12-14-26(15-13-23)33(38)39)29-20-27(34)16-18-30(29)36(22)32(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-16,18,20,32H,17,19,21H2,1H3,(H,35,37)(H,38,39)