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

Systemtic Name: 4-[[1-[bis(4-methoxyphenyl)methyl]-6-chloranyl-indol-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[1-[bis(4-methoxyphenyl)methyl]-6-chloro-indol-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 4-[[1-[bis(4-methoxyphenyl)methyl]-6-chloro-3-indolyl]methyl]-3-methoxybenzoic acid IUPAC Name: 4-[[1-[bis(4-methoxyphenyl)methyl]-6-chloroindol-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[1-[bis(4-methoxyphenyl)methyl]-6-chloro-indol-3-yl]methyl]-3-methoxy-benzoic acid Formula: C32H28ClNO5 MolecularWeight: 542.02142

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C32H28ClNO5/c1-37-26-11-6-20(7-12-26)31(21-8-13-27(38-2)14-9-21)34-19-24(28-15-10-25(33)18-29(28)34)16-22-4-5-23(32(35)36)17-30(22)39-3/h4-15,17-19,31H,16H2,1-3H3,(H,35,36)