3-[(2-carboxy-1H-indol-3-yl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl]-1H-indole-2-carboxylic acid

Systemtic Name: 3-[(2-carboxy-1H-indol-3-yl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl]-1H-indole-2-carboxylic acid Openeye Name: 3-[(4-benzyloxy-3-methoxy-phenyl)-(2-carboxy-1H-indol-3-yl)methyl]-1H-indole-2-carboxylic acid CAS Name: 3-[(2-carboxy-1H-indol-3-yl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1H-indole-2-carboxylic acid IUPAC Name: 3-[(2-carboxy-1H-indol-3-yl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1H-indole-2-carboxylic acid Traditional Name: 3-[(4-benzoxy-3-methoxy-phenyl)-(2-carboxy-1H-indol-3-yl)methyl]-1H-indole-2-carboxylic acid Formula: C33H26N2O6 MolecularWeight: 546.56934

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=C(NC3=CC=CC=C32)C(=O)O)C4=C(NC5=CC=CC=C54)C(=O)O)OCC6=CC=CC=C6

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=C(NC3=CC=CC=C32)C(=O)O)C4=C(NC5=CC=CC=C54)C(=O)O)OCC6=CC=CC=C6

InChI

InChI=1S/C33H26N2O6/c1-40-26-17-20(15-16-25(26)41-18-19-9-3-2-4-10-19)27(28-21-11-5-7-13-23(21)34-30(28)32(36)37)29-22-12-6-8-14-24(22)35-31(29)33(38)39/h2-17,27,34-35H,18H2,1H3,(H,36,37)(H,38,39)