4-[[5-bromanyl-1-(diphenylmethyl)indol-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[5-bromanyl-1-(diphenylmethyl)indol-3-yl]methyl]benzoic acid Openeye Name: 4-[(1-benzhydryl-5-bromo-indol-3-yl)methyl]benzoic acid CAS Name: 4-[[5-bromo-1-(diphenylmethyl)-3-indolyl]methyl]benzoic acid IUPAC Name: 4-[(1-benzhydryl-5-bromoindol-3-yl)methyl]benzoic acid Traditional Name: 4-[(1-benzhydryl-5-bromo-indol-3-yl)methyl]benzoic acid Formula: C29H22BrNO2 MolecularWeight: 496.39448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C=C(C4=C3C=CC(=C4)Br)CC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C=C(C4=C3C=CC(=C4)Br)CC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C29H22BrNO2/c30-25-15-16-27-26(18-25)24(17-20-11-13-23(14-12-20)29(32)33)19-31(27)28(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-16,18-19,28H,17H2,(H,32,33)