ethyl 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine-2-carboxylate

Systemtic Name: ethyl 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine-2-carboxylate Openeye Name: ethyl 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine-2-carboxylate CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-2-pyrrolo[2,3-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)pyrrolo[2,3-b]pyridine-2-carboxylate Traditional Name: 3-(4-methoxyphenyl)-1-piperonyl-pyrrolo[2,3-b]pyridine-2-carboxylic acid ethyl ester Formula: C25H22N2O5 MolecularWeight: 430.45258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1CC3=CC4=C(C=C3)OCO4)N=CC=C2)C5=CC=C(C=C5)OC

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1CC3=CC4=C(C=C3)OCO4)N=CC=C2)C5=CC=C(C=C5)OC

InChI

InChI=1S/C25H22N2O5/c1-3-30-25(28)23-22(17-7-9-18(29-2)10-8-17)19-5-4-12-26-24(19)27(23)14-16-6-11-20-21(13-16)32-15-31-20/h4-13H,3,14-15H2,1-2H3