[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-(2-methylpropyl)benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-(2-methylpropyl)benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-isobutylbenzoate CAS Name: 4-(2-methylpropyl)benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-(2-methylpropyl)benzoate Traditional Name: 4-isobutylbenzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(=O)OCC(=O)NCCC#N

InChI

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