[(2S)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] (2S)-2-[4-(2-methylpropyl)phenyl]propanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl] (2S)-2-[4-(2-methylpropyl)phenyl]propanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(1-piperidyl)ethyl] (2S)-2-(4-isobutylphenyl)propanoate CAS Name: (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid [(2S)-1-oxo-1-(1-piperidinyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[4-(2-methylpropyl)phenyl]propanoate Traditional Name: (2S)-2-(4-isobutylphenyl)propionic acid [(1S)-2-keto-1-methyl-2-piperidino-ethyl] ester Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC(C)C(=O)N2CCCCC2

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)O[C@@H](C)C(=O)N2CCCCC2

InChI

InChI=1S/C21H31NO3/c1-15(2)14-18-8-10-19(11-9-18)16(3)21(24)25-17(4)20(23)22-12-6-5-7-13-22/h8-11,15-17H,5-7,12-14H2,1-4H3/t16-,17-/m0/s1