[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 3-(methoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(methoxymethyl)-2-benzofurancarboxylic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(methoxymethyl)coumarilic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

COCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C21H18N2O5/c1-26-12-17-16-4-2-3-5-18(16)28-20(17)21(25)27-13-19(24)23-15-8-6-14(7-9-15)10-11-22/h2-9H,10,12-13H2,1H3,(H,23,24)