[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 3-(ethoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(ethoxymethyl)-2-benzofurancarboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(ethoxymethyl)coumarilic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C23H22N2O5/c1-2-28-15-19-18-11-6-7-12-20(18)30-22(19)23(27)29-16-21(26)25(14-8-13-24)17-9-4-3-5-10-17/h3-7,9-12H,2,8,14-16H2,1H3