ethyl 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-2-methyl-5-(4-methylphenyl)pyrrole-3-carboxylate

Systemtic Name: ethyl 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-2-methyl-5-(4-methylphenyl)pyrrole-3-carboxylate Openeye Name: ethyl 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-2-methyl-5-(p-tolyl)pyrrole-3-carboxylate CAS Name: 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-methyl-5-(4-methylphenyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-methyl-5-(4-methylphenyl)pyrrole-3-carboxylate Traditional Name: 1-[2-keto-2-(piperonylamino)ethyl]-2-methyl-5-(p-tolyl)pyrrole-3-carboxylic acid ethyl ester Formula: C25H26N2O5 MolecularWeight: 434.48434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)C)CC(=O)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)C)CC(=O)NCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C25H26N2O5/c1-4-30-25(29)20-12-21(19-8-5-16(2)6-9-19)27(17(20)3)14-24(28)26-13-18-7-10-22-23(11-18)32-15-31-22/h5-12H,4,13-15H2,1-3H3,(H,26,28)