ethyl (4S,5R)-4-(4-methylphenyl)-3-(4-methylphenyl)carbonyl-4,5-dihydro-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl (4S,5R)-4-(4-methylphenyl)-3-(4-methylphenyl)carbonyl-4,5-dihydro-1H-pyrazole-5-carboxylate Openeye Name: ethyl (4S,5R)-3-(4-methylbenzoyl)-4-(p-tolyl)-4,5-dihydro-1H-pyrazole-5-carboxylate CAS Name: (4S,5R)-4-(4-methylphenyl)-3-[(4-methylphenyl)-oxomethyl]-4,5-dihydro-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R)-3-(4-methylbenzoyl)-4-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-5-carboxylate Traditional Name: (3R,4S)-5-p-toluoyl-4-(p-tolyl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=NN1)C(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](C(=NN1)C(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H22N2O3/c1-4-26-21(25)19-17(15-9-5-13(2)6-10-15)18(22-23-19)20(24)16-11-7-14(3)8-12-16/h5-12,17,19,23H,4H2,1-3H3/t17-,19-/m1/s1