[(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-benzamidopropanoate

Systemtic Name: [(2R)-1-[(4-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-2-benzamidopropanoate Openeye Name: [(1R)-2-(4-acetylanilino)-1-methyl-2-oxo-ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [(1R)-2-(4-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)NC1=CC=C(C=C1)C(=O)C)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)O[C@H](C)C(=O)NC1=CC=C(C=C1)C(=O)C)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H22N2O5/c1-13(22-20(26)17-7-5-4-6-8-17)21(27)28-15(3)19(25)23-18-11-9-16(10-12-18)14(2)24/h4-13,15H,1-3H3,(H,22,26)(H,23,25)/t13-,15+/m0/s1