1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-4-methyl-pyrrolo[3,2-b]indole-2-carboxylic acid

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-4-methyl-pyrrolo[3,2-b]indole-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-4-methyl-pyrrolo[3,2-b]indole-2-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-4-methyl-2-pyrrolo[3,2-b]indolecarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-4-methylpyrrolo[3,2-b]indole-2-carboxylic acid Traditional Name: 3-(4-methoxyphenyl)-4-methyl-1-piperonyl-pyrrol[3,2-b]indole-2-carboxylic acid Formula: C27H22N2O5 MolecularWeight: 454.47398

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C3=C1C(=C(N3CC4=CC5=C(C=C4)OCO5)C(=O)O)C6=CC=C(C=C6)OC

Isomeric SMILES

CN1C2=CC=CC=C2C3=C1C(=C(N3CC4=CC5=C(C=C4)OCO5)C(=O)O)C6=CC=C(C=C6)OC

InChI

InChI=1S/C27H22N2O5/c1-28-20-6-4-3-5-19(20)24-25(28)23(17-8-10-18(32-2)11-9-17)26(27(30)31)29(24)14-16-7-12-21-22(13-16)34-15-33-21/h3-13H,14-15H2,1-2H3,(H,30,31)