[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-(phenoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(phenoxymethyl)-2-benzofurancarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(phenoxymethyl)coumarilic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=C(OC3=CC=CC=C32)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC=C(C=C1)OCC2=C(OC3=CC=CC=C32)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C21H18N2O5/c22-11-6-12-23-19(24)14-27-21(25)20-17(13-26-15-7-2-1-3-8-15)16-9-4-5-10-18(16)28-20/h1-5,7-10H,6,12-14H2,(H,23,24)