[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate CAS Name: 3-ethoxy-4-(2-phenoxyethoxy)benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate Traditional Name: 3-ethoxy-4-(2-phenoxyethoxy)benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C22H24N2O6 MolecularWeight: 412.43576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)NCCC#N)OCCOC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)NCCC#N)OCCOC2=CC=CC=C2

InChI

InChI=1S/C22H24N2O6/c1-2-27-20-15-17(22(26)30-16-21(25)24-12-6-11-23)9-10-19(20)29-14-13-28-18-7-4-3-5-8-18/h3-5,7-10,15H,2,6,12-14,16H2,1H3,(H,24,25)