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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-(2-methylpropoxy)benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-isobutoxybenzoate CAS Name: 4-(2-methylpropoxy)benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxybenzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H20N2O4 MolecularWeight: 304.341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4/c1-12(2)10-21-14-6-4-13(5-7-14)16(20)22-11-15(19)18-9-3-8-17/h4-7,12H,3,9-11H2,1-2H3,(H,18,19)