[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)OCC(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O4/c1-15(24)18-12-19(22-13-18)21(26)27-14-20(25)23-9-7-17(8-10-23)11-16-5-3-2-4-6-16/h2-6,12-13,17,22H,7-11,14H2,1H3