[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 3-(phenoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(phenoxymethyl)-2-benzofurancarboxylic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(phenoxymethyl)coumarilic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=C(C2=CC=CC=C2O1)COC3=CC=CC=C3

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=C(C2=CC=CC=C2O1)COC3=CC=CC=C3

InChI

InChI=1S/C22H20N2O5/c1-24(13-7-12-23)20(25)15-28-22(26)21-18(14-27-16-8-3-2-4-9-16)17-10-5-6-11-19(17)29-21/h2-6,8-11H,7,13-15H2,1H3