3-[(4-cyanophenyl)carbonylamino]-2,2-dimethyl-hexanoic acid

Systemtic Name: 3-[(4-cyanophenyl)carbonylamino]-2,2-dimethyl-hexanoic acid Openeye Name: 3-[(4-cyanobenzoyl)amino]-2,2-dimethyl-hexanoic acid CAS Name: 3-[[(4-cyanophenyl)-oxomethyl]amino]-2,2-dimethylhexanoic acid IUPAC Name: 3-[(4-cyanobenzoyl)amino]-2,2-dimethylhexanoic acid Traditional Name: 3-[(4-cyanobenzoyl)amino]-2,2-dimethyl-hexanoic acid Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)(C)C(=O)O)NC(=O)C1=CC=C(C=C1)C#N

Isomeric SMILES

CCCC(C(C)(C)C(=O)O)NC(=O)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C16H20N2O3/c1-4-5-13(16(2,3)15(20)21)18-14(19)12-8-6-11(10-17)7-9-12/h6-9,13H,4-5H2,1-3H3,(H,18,19)(H,20,21)