[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] 1-ethanoyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] 1-ethanoyl-4-phenyl-piperidine-4-carboxylate Openeye Name: [2-[[(1S)-1,2-dimethylpropyl]amino]-2-oxo-ethyl] 1-acetyl-4-phenyl-piperidine-4-carboxylate CAS Name: 1-acetyl-4-phenyl-4-piperidinecarboxylic acid [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate Traditional Name: 1-acetyl-4-phenyl-isonipecotic acid [2-[[(1S)-1,2-dimethylpropyl]amino]-2-keto-ethyl] ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(C)C)NC(=O)COC(=O)C1(CCN(CC1)C(=O)C)C2=CC=CC=C2

InChI

InChI=1S/C21H30N2O4/c1-15(2)16(3)22-19(25)14-27-20(26)21(18-8-6-5-7-9-18)10-12-23(13-11-21)17(4)24/h5-9,15-16H,10-14H2,1-4H3,(H,22,25)/t16-/m0/s1