3-(1,3-benzodioxol-5-yl)-5-methoxy-1-(4-methoxyphenyl)indole-2-carboxylic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-methoxy-1-(4-methoxyphenyl)indole-2-carboxylic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-5-methoxy-1-(4-methoxyphenyl)indole-2-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-5-methoxy-1-(4-methoxyphenyl)-2-indolecarboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-5-methoxy-1-(4-methoxyphenyl)indole-2-carboxylic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-5-methoxy-1-(4-methoxyphenyl)indole-2-carboxylic acid Formula: C24H19NO6 MolecularWeight: 417.41076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=C(C=C(C=C3)OC)C(=C2C(=O)O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=C(C=C(C=C3)OC)C(=C2C(=O)O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H19NO6/c1-28-16-6-4-15(5-7-16)25-19-9-8-17(29-2)12-18(19)22(23(25)24(26)27)14-3-10-20-21(11-14)31-13-30-20/h3-12H,13H2,1-2H3,(H,26,27)