(3-cyanophenyl)methyl 3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: (3-cyanophenyl)methyl 3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: (3-cyanophenyl)methyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: 3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: 3-methyl-2-[(2-phenylacetyl)amino]butyric acid (3-cyanobenzyl) ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC(=C1)C#N)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=CC(=C1)C#N)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O3/c1-15(2)20(23-19(24)12-16-7-4-3-5-8-16)21(25)26-14-18-10-6-9-17(11-18)13-22/h3-11,15,20H,12,14H2,1-2H3,(H,23,24)