[1-(phenylmethyl)piperidin-3-yl] 3-oxidanylidenebutanoate

Systemtic Name: [1-(phenylmethyl)piperidin-3-yl] 3-oxidanylidenebutanoate Openeye Name: (1-benzyl-3-piperidyl) 3-oxobutanoate CAS Name: 3-oxobutanoic acid [1-(phenylmethyl)-3-piperidinyl] ester IUPAC Name: (1-benzylpiperidin-3-yl) 3-oxobutanoate Traditional Name: 3-ketobutyric acid (1-benzyl-3-piperidyl) ester Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OC1CCCN(C1)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)CC(=O)OC1CCCN(C1)CC2=CC=CC=C2

InChI

InChI=1S/C16H21NO3/c1-13(18)10-16(19)20-15-8-5-9-17(12-15)11-14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-12H2,1H3