methyl 2-acetamido-3-(4-cyanophenyl)propanoate

Systemtic Name: methyl 2-acetamido-3-(4-cyanophenyl)propanoate Openeye Name: methyl 2-acetamido-3-(4-cyanophenyl)propanoate CAS Name: 2-acetamido-3-(4-cyanophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-(4-cyanophenyl)propanoate Traditional Name: 2-acetamido-3-(4-cyanophenyl)propionic acid methyl ester Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3/c1-9(16)15-12(13(17)18-2)7-10-3-5-11(8-14)6-4-10/h3-6,12H,7H2,1-2H3,(H,15,16)