[2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl] 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(1S)-1-phenylethyl]amino]ethyl] 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Openeye Name: [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxylic acid [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Traditional Name: 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylic acid [2-keto-2-[[(1S)-1-phenylethyl]amino]ethyl] ester Formula: C19H24ClN3O3 MolecularWeight: 377.86516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NC(C)C2=CC=CC=C2)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)N[C@@H](C)C2=CC=CC=C2)Cl)CC(C)C

InChI

InChI=1S/C19H24ClN3O3/c1-12(2)10-23-18(20)17(14(4)22-23)19(25)26-11-16(24)21-13(3)15-8-6-5-7-9-15/h5-9,12-13H,10-11H2,1-4H3,(H,21,24)/t13-/m0/s1