[(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [(2R)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(1R)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 5-methoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-methoxy-3-methyl-2-benzofurancarboxylic acid [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-methoxy-3-methyl-coumarilic acid [(1R)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)O[C@H](C)C(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H18N2O5/c1-12-17-10-16(26-3)8-9-18(17)28-19(12)21(25)27-13(2)20(24)23-15-6-4-14(11-22)5-7-15/h4-10,13H,1-3H3,(H,23,24)/t13-/m1/s1