[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,4,5-trimethylfuran-3-carboxylate

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,4,5-trimethylfuran-3-carboxylate Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 2,4,5-trimethylfuran-3-carboxylate CAS Name: 2,4,5-trimethyl-3-furancarboxylic acid [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2,4,5-trimethylfuran-3-carboxylate Traditional Name: 2,4,5-trimethylfuran-3-carboxylic acid [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C(=O)OC(C)C(=O)NC2=CC=CC(=C2)C#N)C)C

Isomeric SMILES

CC1=C(OC(=C1C(=O)O[C@H](C)C(=O)NC2=CC=CC(=C2)C#N)C)C

InChI

InChI=1S/C18H18N2O4/c1-10-11(2)23-12(3)16(10)18(22)24-13(4)17(21)20-15-7-5-6-14(8-15)9-19/h5-8,13H,1-4H3,(H,20,21)/t13-/m1/s1