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

Systemtic Name: 3-[(4-cyanophenyl)carbonylamino]-2,2-dimethyl-octanoic acid Openeye Name: 3-[(4-cyanobenzoyl)amino]-2,2-dimethyl-octanoic acid CAS Name: 3-[[(4-cyanophenyl)-oxomethyl]amino]-2,2-dimethyloctanoic acid IUPAC Name: 3-[(4-cyanobenzoyl)amino]-2,2-dimethyloctanoic acid Traditional Name: 3-[(4-cyanobenzoyl)amino]-2,2-dimethyl-caprylic acid Formula: C18H24N2O3 MolecularWeight: 316.39476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O3/c1-4-5-6-7-15(18(2,3)17(22)23)20-16(21)14-10-8-13(12-19)9-11-14/h8-11,15H,4-7H2,1-3H3,(H,20,21)(H,22,23)