[(2R)-1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [(2R)-1-[(4-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [(1R)-2-(4-chloroanilino)-1-methyl-2-oxo-ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [(1R)-2-(4-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H18ClN3O3 MolecularWeight: 383.82822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)O[C@H](C)C(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN3O3/c1-13-11-12-22-24(13)18-9-3-15(4-10-18)20(26)27-14(2)19(25)23-17-7-5-16(21)6-8-17/h3-12,14H,1-2H3,(H,23,25)/t14-/m1/s1