[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methylfuran-2-carboxylate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methylfuran-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 5-methylfuran-2-carboxylate CAS Name: 5-methyl-2-furancarboxylic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 5-methylfuran-2-carboxylate Traditional Name: 5-methylfuran-2-carboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(=O)OC(C)C(=O)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(O1)C(=O)OC(C)C(=O)N(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C18H18N2O4/c1-13-9-10-16(23-13)18(22)24-14(2)17(21)20(12-6-11-19)15-7-4-3-5-8-15/h3-5,7-10,14H,6,12H2,1-2H3