[(2S)-1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [(2S)-1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate Openeye Name: [(1S)-2-(4-methoxyanilino)-1-methyl-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [(1S)-2-keto-1-methyl-2-(p-anisidino)ethyl] ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)OC)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C20H19N3O4/c1-14(19(24)22-16-6-10-18(26-2)11-7-16)27-20(25)15-4-8-17(9-5-15)23-13-3-12-21-23/h3-14H,1-2H3,(H,22,24)/t14-/m0/s1