[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(benzylamino)-1-methyl-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxopropan-2-yl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC(=CN2)C(=O)C

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC(=CN2)C(=O)C

InChI

InChI=1S/C17H18N2O4/c1-11(20)14-8-15(18-10-14)17(22)23-12(2)16(21)19-9-13-6-4-3-5-7-13/h3-8,10,12,18H,9H2,1-2H3,(H,19,21)