4-[(3-cyanophenyl)methylamino]-2-methyl-4-oxidanylidene-2-propan-2-yl-butanoic acid

Systemtic Name: 4-[(3-cyanophenyl)methylamino]-2-methyl-4-oxidanylidene-2-propan-2-yl-butanoic acid Openeye Name: 4-[(3-cyanophenyl)methylamino]-2-isopropyl-2-methyl-4-oxo-butanoic acid CAS Name: 4-[(3-cyanophenyl)methylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid IUPAC Name: 4-[(3-cyanophenyl)methylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid Traditional Name: 4-[(3-cyanobenzyl)amino]-2-isopropyl-4-keto-2-methyl-butyric acid Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(CC(=O)NCC1=CC=CC(=C1)C#N)C(=O)O

Isomeric SMILES

CC(C)C(C)(CC(=O)NCC1=CC=CC(=C1)C#N)C(=O)O

InChI

InChI=1S/C16H20N2O3/c1-11(2)16(3,15(20)21)8-14(19)18-10-13-6-4-5-12(7-13)9-17/h4-7,11H,8,10H2,1-3H3,(H,18,19)(H,20,21)