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

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl] ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NC(C)C2=CC=CC=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)N[C@H](C)C2=CC=CC=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C22H22ClN3O3/c1-15(18-11-7-4-8-12-18)24-19(27)14-29-22(28)20-16(2)25-26(21(20)23)13-17-9-5-3-6-10-17/h3-12,15H,13-14H2,1-2H3,(H,24,27)/t15-/m1/s1