[2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

Systemtic Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxidanylidene-ethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate Openeye Name: [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-oxo-ethyl] 5-methyl-3-phenyl-isoxazole-4-carboxylate CAS Name: 5-methyl-3-phenyl-4-isoxazolecarboxylic acid [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate Traditional Name: 5-methyl-3-phenyl-isoxazole-4-carboxylic acid [2-[[(1S)-1-cyano-1-cyclopropyl-ethyl]amino]-2-keto-ethyl] ester Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OCC(=O)NC(C)(C#N)C3CC3

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OCC(=O)N[C@](C)(C#N)C3CC3

InChI

InChI=1S/C19H19N3O4/c1-12-16(17(22-26-12)13-6-4-3-5-7-13)18(24)25-10-15(23)21-19(2,11-20)14-8-9-14/h3-7,14H,8-10H2,1-2H3,(H,21,23)/t19-/m1/s1