methyl (2S)-2-(carbonocyanidoylamino)-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-(carbonocyanidoylamino)-3-phenyl-propanoate Openeye Name: methyl (2S)-2-(carbonocyanidoylamino)-3-phenyl-propanoate CAS Name: (2S)-2-(carbonocyanidoylamino)-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-(carbonocyanidoylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(carbonocyanidoylamino)-3-phenyl-propionic acid methyl ester Formula: C12H12N2O3 MolecularWeight: 232.23528

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C#N

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C#N

InChI

InChI=1S/C12H12N2O3/c1-17-12(16)10(14-11(15)8-13)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,14,15)/t10-/m0/s1