[(2S)-1-oxidanylidene-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] 3-acetamidobenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] 3-acetamidobenzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2R)-2-phenylbutyl]amino]ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [(2S)-1-oxo-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2R)-2-phenylbutyl]amino]propan-2-yl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [(1S)-2-keto-1-methyl-2-[[(2R)-2-phenylbutyl]amino]ethyl] ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4/c1-4-17(18-9-6-5-7-10-18)14-23-21(26)15(2)28-22(27)19-11-8-12-20(13-19)24-16(3)25/h5-13,15,17H,4,14H2,1-3H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1