[(2S)-1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] (3S)-3-phenylbutanoate

Systemtic Name: [(2S)-1-[(4-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] (3S)-3-phenylbutanoate Openeye Name: [(1S)-2-(4-ethoxyanilino)-1-methyl-2-oxo-ethyl] (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid [(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid [(1S)-2-keto-1-methyl-2-(p-phenetidino)ethyl] ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CC(C)C2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C[C@H](C)C2=CC=CC=C2

InChI

InChI=1S/C21H25NO4/c1-4-25-19-12-10-18(11-13-19)22-21(24)16(3)26-20(23)14-15(2)17-8-6-5-7-9-17/h5-13,15-16H,4,14H2,1-3H3,(H,22,24)/t15-,16-/m0/s1