(phenylmethyl) 2-[(1-cyano-3-phenyl-propyl)amino]-3-methyl-butanoate

Systemtic Name: (phenylmethyl) 2-[(1-cyano-3-phenyl-propyl)amino]-3-methyl-butanoate Openeye Name: benzyl 2-[(1-cyano-3-phenyl-propyl)amino]-3-methyl-butanoate CAS Name: 2-[(1-cyano-3-phenylpropyl)amino]-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(1-cyano-3-phenylpropyl)amino]-3-methylbutanoate Traditional Name: 2-[(1-cyano-3-phenyl-propyl)amino]-3-methyl-butyric acid benzyl ester Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(CCC2=CC=CC=C2)C#N

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(CCC2=CC=CC=C2)C#N

InChI

InChI=1S/C22H26N2O2/c1-17(2)21(22(25)26-16-19-11-7-4-8-12-19)24-20(15-23)14-13-18-9-5-3-6-10-18/h3-12,17,20-21,24H,13-14,16H2,1-2H3