5-[2-cyanoethyl-(phenylmethyl)amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[2-cyanoethyl-(phenylmethyl)amino]-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[benzyl(2-cyanoethyl)amino]-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-[2-cyanoethyl-(phenylmethyl)amino]-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-[benzyl(2-cyanoethyl)amino]-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-[benzyl(2-cyanoethyl)amino]-5-keto-3,3-dimethyl-valeric acid Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)N(CCC#N)CC1=CC=CC=C1)CC(=O)O

Isomeric SMILES

CC(C)(CC(=O)N(CCC#N)CC1=CC=CC=C1)CC(=O)O

InChI

InChI=1S/C17H22N2O3/c1-17(2,12-16(21)22)11-15(20)19(10-6-9-18)13-14-7-4-3-5-8-14/h3-5,7-8H,6,10-13H2,1-2H3,(H,21,22)