[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-propoxyphenyl)butanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-propoxyphenyl)butanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 4-oxo-4-(4-propoxyphenyl)butanoate CAS Name: 4-oxo-4-(4-propoxyphenyl)butanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 4-oxo-4-(4-propoxyphenyl)butanoate Traditional Name: 4-keto-4-(4-propoxyphenyl)butyric acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NCCC#N

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C18H22N2O5/c1-2-12-24-15-6-4-14(5-7-15)16(21)8-9-18(23)25-13-17(22)20-11-3-10-19/h4-7H,2-3,8-9,11-13H2,1H3,(H,20,22)