[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl] 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxo-ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-keto-ethyl] ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)NC(C)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)OCC(=O)NC(C)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H22N2O6/c1-10-18(13(4)23)12(3)22-19(10)20(25)26-8-17(24)21-11(2)14-5-6-15-16(7-14)28-9-27-15/h5-7,11,22H,8-9H2,1-4H3,(H,21,24)