[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [(2S)-1-[(2-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate Openeye Name: [(1S)-2-[(2-chlorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [(1S)-2-[(2-chlorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H18ClN3O3 MolecularWeight: 383.82822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1Cl)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1Cl)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

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