[(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate

Systemtic Name: [(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: [(1R)-1-methyl-2-oxo-2-(phenethylamino)ethyl] 3,5-dimethyl-1-(p-tolylmethyl)pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolecarboxylic acid [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] 3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-(4-methylbenzyl)pyrazole-4-carboxylic acid [(1R)-2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)OC(C)C(=O)NCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)O[C@H](C)C(=O)NCCC3=CC=CC=C3)C

InChI

InChI=1S/C25H29N3O3/c1-17-10-12-22(13-11-17)16-28-19(3)23(18(2)27-28)25(30)31-20(4)24(29)26-15-14-21-8-6-5-7-9-21/h5-13,20H,14-16H2,1-4H3,(H,26,29)/t20-/m1/s1