[(2R)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate

Systemtic Name: [(2R)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [(1R)-2-(3-acetylanilino)-1-methyl-2-oxo-ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [(1R)-2-(3-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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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=CC(=C3)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O4/c1-14-11-12-23-25(14)20-9-7-17(8-10-20)22(28)29-16(3)21(27)24-19-6-4-5-18(13-19)15(2)26/h4-13,16H,1-3H3,(H,24,27)/t16-/m1/s1