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

Systemtic Name: methyl 5-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[2-(1,3-benzodioxol-5-yl)ethylamino]-oxomethyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-(1,3-benzodioxol-5-yl)ethylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate Traditional Name: 2-ethyl-5-(homopiperonylcarbamoyl)-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C19H22N2O5 MolecularWeight: 358.38838

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)NCCC2=CC3=C(C=C2)OCO3)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)NCCC2=CC3=C(C=C2)OCO3)C)C(=O)OC

InChI

InChI=1S/C19H22N2O5/c1-4-13-16(19(23)24-3)11(2)17(21-13)18(22)20-8-7-12-5-6-14-15(9-12)26-10-25-14/h5-6,9,21H,4,7-8,10H2,1-3H3,(H,20,22)