[(2S)-1-oxidanylidene-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 4-acetamidobenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 4-acetamidobenzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-acetamidobenzoate CAS Name: 4-acetamidobenzoic acid [(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2S)-2-phenylpropyl]amino]propan-2-yl] 4-acetamidobenzoate Traditional Name: 4-acetamidobenzoic acid [(1S)-2-keto-1-methyl-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4/c1-14(17-7-5-4-6-8-17)13-22-20(25)15(2)27-21(26)18-9-11-19(12-10-18)23-16(3)24/h4-12,14-15H,13H2,1-3H3,(H,22,25)(H,23,24)/t14-,15+/m1/s1