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

Systemtic Name: 4-[[5-bromanyl-1-(diphenylmethyl)indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[(1-benzhydryl-5-bromo-indol-3-yl)methyl]-3-methoxy-benzoic acid CAS Name: 4-[[5-bromo-1-(diphenylmethyl)-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[(1-benzhydryl-5-bromoindol-3-yl)methyl]-3-methoxybenzoic acid Traditional Name: 4-[(1-benzhydryl-5-bromo-indol-3-yl)methyl]-3-methoxy-benzoic acid Formula: C30H24BrNO3 MolecularWeight: 526.42046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)O)CC2=CN(C3=C2C=C(C=C3)Br)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)O)CC2=CN(C3=C2C=C(C=C3)Br)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H24BrNO3/c1-35-28-17-23(30(33)34)13-12-22(28)16-24-19-32(27-15-14-25(31)18-26(24)27)29(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,17-19,29H,16H2,1H3,(H,33,34)