3-[(4-cyanophenyl)carbonylamino]-2,2-dimethyl-5-phenyl-pentanoic acid

Systemtic Name: 3-[(4-cyanophenyl)carbonylamino]-2,2-dimethyl-5-phenyl-pentanoic acid Openeye Name: 3-[(4-cyanobenzoyl)amino]-2,2-dimethyl-5-phenyl-pentanoic acid CAS Name: 3-[[(4-cyanophenyl)-oxomethyl]amino]-2,2-dimethyl-5-phenylpentanoic acid IUPAC Name: 3-[(4-cyanobenzoyl)amino]-2,2-dimethyl-5-phenylpentanoic acid Traditional Name: 3-[(4-cyanobenzoyl)amino]-2,2-dimethyl-5-phenyl-valeric acid Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(CCC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

CC(C)(C(CCC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)C#N)C(=O)O

InChI

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