(phenylmethyl) (2S)-2-[(3-cyanophenyl)carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[(3-cyanophenyl)carbonylamino]-3-oxidanyl-propanoate Openeye Name: benzyl (2S)-2-[(3-cyanobenzoyl)amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[(3-cyanophenyl)-oxomethyl]amino]-3-hydroxypropanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(3-cyanobenzoyl)amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[(3-cyanobenzoyl)amino]-3-hydroxy-propionic acid benzyl ester Formula: C18H16N2O4 MolecularWeight: 324.33064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CO)NC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CO)NC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C18H16N2O4/c19-10-14-7-4-8-15(9-14)17(22)20-16(11-21)18(23)24-12-13-5-2-1-3-6-13/h1-9,16,21H,11-12H2,(H,20,22)/t16-/m0/s1