1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-indole-2-carboxylic acid

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-indole-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-indole-2-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2-indolecarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)-5,6-dimethoxyindole-2-carboxylic acid Traditional Name: 3-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1-piperonyl-indole-2-carboxylic acid Formula: C27H25NO8 MolecularWeight: 491.4893

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N(C3=CC(=C(C=C32)OC)OC)CC4=CC5=C(C=C4)OCO5)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N(C3=CC(=C(C=C32)OC)OC)CC4=CC5=C(C=C4)OCO5)C(=O)O)OC

InChI

InChI=1S/C27H25NO8/c1-31-19-8-6-16(10-21(19)32-2)25-17-11-22(33-3)23(34-4)12-18(17)28(26(25)27(29)30)13-15-5-7-20-24(9-15)36-14-35-20/h5-12H,13-14H2,1-4H3,(H,29,30)