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

Systemtic Name: [(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate Openeye Name: [(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 5-isopropyl-3-methyl-isoxazole-4-carboxylate CAS Name: 3-methyl-5-propan-2-yl-4-isoxazolecarboxylic acid [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate Traditional Name: 5-isopropyl-3-methyl-isoxazole-4-carboxylic acid [(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4/c1-10(2)16-15(11(3)21-25-16)18(23)24-12(4)17(22)20-14-7-5-6-13(8-14)9-19/h5-8,10,12H,1-4H3,(H,20,22)/t12-/m1/s1