methyl 5-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[2-(1,3-benzodioxol-5-yl)ethylamino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-(homopiperonylcarbamoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)NCCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)NCCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H20N2O5/c1-10-15(18(22)23-3)11(2)20-16(10)17(21)19-7-6-12-4-5-13-14(8-12)25-9-24-13/h4-5,8,20H,6-7,9H2,1-3H3,(H,19,21)