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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)-5-methoxy-indole-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)-5-methoxy-indole-2-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)-5-methoxy-2-indolecarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)-5-methoxyindole-2-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)-5-methoxy-indole-2-carboxylic acid Formula: C25H21NO7 MolecularWeight: 447.43674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=C2C3=CC(=C(C=C3)OC)OC)C(=O)O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=C2C3=CC(=C(C=C3)OC)OC)C(=O)O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H21NO7/c1-29-16-6-7-18-17(12-16)23(14-4-8-19(30-2)21(10-14)31-3)24(25(27)28)26(18)15-5-9-20-22(11-15)33-13-32-20/h4-12H,13H2,1-3H3,(H,27,28)