4-[[1-[(4-aminophenyl)-phenyl-methyl]-6-chloranyl-indol-3-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[1-[(4-aminophenyl)-phenyl-methyl]-6-chloranyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[1-[(4-aminophenyl)-phenyl-methyl]-6-chloro-indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[1-[(4-aminophenyl)-phenylmethyl]-6-chloro-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[1-[(4-aminophenyl)-phenylmethyl]-6-chloroindol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[1-[(4-aminophenyl)-phenyl-methyl]-6-chloro-indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C30H25ClN2O3 MolecularWeight: 496.9841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H25ClN2O3/c1-36-28-16-22(30(34)35)8-7-21(28)15-23-18-33(27-17-24(31)11-14-26(23)27)29(19-5-3-2-4-6-19)20-9-12-25(32)13-10-20/h2-14,16-18,29H,15,32H2,1H3,(H,34,35)