[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] (3S)-3-phenylbutanoate

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] (3S)-3-phenylbutanoate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid [2-oxo-2-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid [2-keto-2-(4-propionamidophenyl)ethyl] ester Formula: C21H23NO4 MolecularWeight: 353.41162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CC(C)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4/c1-3-20(24)22-18-11-9-17(10-12-18)19(23)14-26-21(25)13-15(2)16-7-5-4-6-8-16/h4-12,15H,3,13-14H2,1-2H3,(H,22,24)/t15-/m0/s1