[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate CAS Name: 3-ethoxy-4-(2-phenoxyethoxy)benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate Traditional Name: 3-ethoxy-4-(2-phenoxyethoxy)benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C23H26N2O6 MolecularWeight: 426.46234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O6/c1-3-28-21-16-18(23(27)31-17-22(26)25(2)13-7-12-24)10-11-20(21)30-15-14-29-19-8-5-4-6-9-19/h4-6,8-11,16H,3,7,13-15,17H2,1-2H3