[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-butoxybenzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-butoxybenzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H20N2O4 MolecularWeight: 304.341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C16H20N2O4/c1-2-3-11-21-14-7-5-13(6-8-14)16(20)22-12-15(19)18-10-4-9-17/h5-8H,2-4,10-12H2,1H3,(H,18,19)