[(2S)-1-[(2-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(pyrazol-1-ylmethyl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1Cl)OC(=O)C2=CC=C(C=C2)CN3C=CC=N3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1Cl)OC(=O)C2=CC=C(C=C2)CN3C=CC=N3

InChI

InChI=1S/C20H18ClN3O3/c1-14(19(25)23-18-6-3-2-5-17(18)21)27-20(26)16-9-7-15(8-10-16)13-24-12-4-11-22-24/h2-12,14H,13H2,1H3,(H,23,25)/t14-/m0/s1