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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-pentoxybenzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C17H22N2O4/c1-2-3-4-12-22-15-8-6-14(7-9-15)17(21)23-13-16(20)19-11-5-10-18/h6-9H,2-5,11-13H2,1H3,(H,19,20)