[(1R)-1-cyanoethyl] 3-[(4-oxidanylidene-4-phenyl-butanoyl)amino]propanoate

Systemtic Name: [(1R)-1-cyanoethyl] 3-[(4-oxidanylidene-4-phenyl-butanoyl)amino]propanoate Openeye Name: [(1R)-1-cyanoethyl] 3-[(4-oxo-4-phenyl-butanoyl)amino]propanoate CAS Name: 3-[(1,4-dioxo-4-phenylbutyl)amino]propanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-[(4-oxo-4-phenylbutanoyl)amino]propanoate Traditional Name: 3-[(4-keto-4-phenyl-butanoyl)amino]propionic acid [(1R)-1-cyanoethyl] ester Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)CCNC(=O)CCC(=O)C1=CC=CC=C1

Isomeric SMILES

C[C@H](C#N)OC(=O)CCNC(=O)CCC(=O)C1=CC=CC=C1

InChI

InChI=1S/C16H18N2O4/c1-12(11-17)22-16(21)9-10-18-15(20)8-7-14(19)13-5-3-2-4-6-13/h2-6,12H,7-10H2,1H3,(H,18,20)/t12-/m1/s1