3-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxy-indole-2-carboxylic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxy-indole-2-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-benzyloxy-1-[(4-methoxyphenyl)methyl]indole-2-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxy-2-indolecarboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxyindole-2-carboxylic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-benzoxy-1-p-anisyl-indole-2-carboxylic acid Formula: C31H25NO6 MolecularWeight: 507.5333

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C(=C2C(=O)O)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)OCC4=CC=CC=C4)C(=C2C(=O)O)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C31H25NO6/c1-35-23-10-7-20(8-11-23)17-32-26-13-12-24(36-18-21-5-3-2-4-6-21)16-25(26)29(30(32)31(33)34)22-9-14-27-28(15-22)38-19-37-27/h2-16H,17-19H2,1H3,(H,33,34)