4-[(3-cyanophenyl)methylamino]-2,2-diethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-cyanophenyl)methylamino]-2,2-diethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3-cyanophenyl)methylamino]-2,2-diethyl-4-oxo-butanoic acid CAS Name: 4-[(3-cyanophenyl)methylamino]-2,2-diethyl-4-oxobutanoic acid IUPAC Name: 4-[(3-cyanophenyl)methylamino]-2,2-diethyl-4-oxobutanoic acid Traditional Name: 4-[(3-cyanobenzyl)amino]-2,2-diethyl-4-keto-butyric acid Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3/c1-3-16(4-2,15(20)21)9-14(19)18-11-13-7-5-6-12(8-13)10-17/h5-8H,3-4,9,11H2,1-2H3,(H,18,19)(H,20,21)