(phenylmethyl) 2-[(1-cyanopyrrolidin-2-yl)carbonylamino]-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) 2-[(1-cyanopyrrolidin-2-yl)carbonylamino]-4-methyl-pentanoate Openeye Name: benzyl 2-[(1-cyanopyrrolidine-2-carbonyl)amino]-4-methyl-pentanoate CAS Name: 2-[[(1-cyano-2-pyrrolidinyl)-oxomethyl]amino]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(1-cyanopyrrolidine-2-carbonyl)amino]-4-methylpentanoate Traditional Name: 2-[(1-cyanoprolyl)amino]-4-methyl-valeric acid benzyl ester Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C2CCCN2C#N

Isomeric SMILES

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C2CCCN2C#N

InChI

InChI=1S/C19H25N3O3/c1-14(2)11-16(19(24)25-12-15-7-4-3-5-8-15)21-18(23)17-9-6-10-22(17)13-20/h3-5,7-8,14,16-17H,6,9-12H2,1-2H3,(H,21,23)