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

Systemtic Name: [(2R)-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate Openeye Name: [(1R)-2-(benzylamino)-1-methyl-2-oxo-ethyl] 4-(5-methylpyrazol-1-yl)benzoate CAS Name: 4-(5-methyl-1-pyrazolyl)benzoic acid [(2R)-1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [(2R)-1-(benzylamino)-1-oxopropan-2-yl] 4-(5-methylpyrazol-1-yl)benzoate Traditional Name: 4-(5-methylpyrazol-1-yl)benzoic acid [(1R)-2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)OC(C)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)O[C@H](C)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3/c1-15-12-13-23-24(15)19-10-8-18(9-11-19)21(26)27-16(2)20(25)22-14-17-6-4-3-5-7-17/h3-13,16H,14H2,1-2H3,(H,22,25)/t16-/m1/s1