[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 1-ethanoyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 1-ethanoyl-4-phenyl-piperidine-4-carboxylate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 1-acetyl-4-phenyl-piperidine-4-carboxylate CAS Name: 1-acetyl-4-phenyl-4-piperidinecarboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate Traditional Name: 1-acetyl-4-phenyl-isonipecotic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1(CCN(CC1)C(=O)C)C2=CC=CC=C2

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1(CCN(CC1)C(=O)C)C2=CC=CC=C2

InChI

InChI=1S/C21H30N2O4/c1-4-18(5-2)22-19(25)15-27-20(26)21(17-9-7-6-8-10-17)11-13-23(14-12-21)16(3)24/h6-10,18H,4-5,11-15H2,1-3H3,(H,22,25)