[(2R)-1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [(2R)-1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [(1R)-2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 3-(ethoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(ethoxymethyl)-2-benzofurancarboxylic acid [(2R)-1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(ethoxymethyl)coumarilic acid [(1R)-2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C24H24N2O5 MolecularWeight: 420.45776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOCC1=C(OC2=CC=CC=C21)C(=O)O[C@H](C)C(=O)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C24H24N2O5/c1-3-29-16-20-19-12-7-8-13-21(19)31-22(20)24(28)30-17(2)23(27)26(15-9-14-25)18-10-5-4-6-11-18/h4-8,10-13,17H,3,9,15-16H2,1-2H3/t17-/m1/s1