(2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl) (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: (2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl) (2S)-3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: [2-oxo-1-phenyl-2-(1-piperidyl)ethyl] (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid [2-oxo-1-phenyl-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-1-phenyl-2-piperidin-1-ylethyl) (2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(m-toluoylamino)butyric acid (2-keto-1-phenyl-2-piperidino-ethyl) ester Formula: C26H32N2O4 MolecularWeight: 436.54328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C(C)C)C(=O)OC(C2=CC=CC=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C26H32N2O4/c1-18(2)22(27-24(29)21-14-10-11-19(3)17-21)26(31)32-23(20-12-6-4-7-13-20)25(30)28-15-8-5-9-16-28/h4,6-7,10-14,17-18,22-23H,5,8-9,15-16H2,1-3H3,(H,27,29)/t22-,23?/m0/s1