[(2R)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 2-methylbenzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 2-methylbenzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [(2R)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [(1R)-2-keto-1-methyl-2-[[(2S)-2-phenylbutyl]amino]ethyl] ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)OC(=O)C1=CC=CC=C1C)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](CNC(=O)[C@@H](C)OC(=O)C1=CC=CC=C1C)C2=CC=CC=C2

InChI

InChI=1S/C21H25NO3/c1-4-17(18-11-6-5-7-12-18)14-22-20(23)16(3)25-21(24)19-13-9-8-10-15(19)2/h5-13,16-17H,4,14H2,1-3H3,(H,22,23)/t16-,17-/m1/s1