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

Systemtic Name: 4-[[6-chloranyl-1-[(4-methoxyphenyl)-phenyl-methyl]indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[6-chloro-1-[(4-methoxyphenyl)-phenyl-methyl]indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[6-chloro-1-[(4-methoxyphenyl)-phenylmethyl]-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[6-chloro-1-[(4-methoxyphenyl)-phenylmethyl]indol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[6-chloro-1-[(4-methoxyphenyl)-phenyl-methyl]indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C31H26ClNO4 MolecularWeight: 511.99544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)N3C=C(C4=C3C=C(C=C4)Cl)CC5=C(C=C(C=C5)C(=O)O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)N3C=C(C4=C3C=C(C=C4)Cl)CC5=C(C=C(C=C5)C(=O)O)OC

InChI

InChI=1S/C31H26ClNO4/c1-36-26-13-10-21(11-14-26)30(20-6-4-3-5-7-20)33-19-24(27-15-12-25(32)18-28(27)33)16-22-8-9-23(31(34)35)17-29(22)37-2/h3-15,17-19,30H,16H2,1-2H3,(H,34,35)