[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(2-methylpropoxy)benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(2-methylpropoxy)benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-isobutoxybenzoate CAS Name: 3-(2-methylpropoxy)benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-(2-methylpropoxy)benzoate Traditional Name: 3-isobutoxybenzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C16H20N2O4/c1-12(2)10-21-14-6-3-5-13(9-14)16(20)22-11-15(19)18-8-4-7-17/h3,5-6,9,12H,4,8,10-11H2,1-2H3,(H,18,19)