ethyl (3S)-4-(4-methoxyphenyl)-3-(4-methylphenyl)carbonyl-2,3-dihydro-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl (3S)-4-(4-methoxyphenyl)-3-(4-methylphenyl)carbonyl-2,3-dihydro-1H-pyrazole-5-carboxylate Openeye Name: ethyl (3S)-4-(4-methoxyphenyl)-3-(4-methylbenzoyl)-2,3-dihydro-1H-pyrazole-5-carboxylate CAS Name: (3S)-4-(4-methoxyphenyl)-3-[(4-methylphenyl)-oxomethyl]-2,3-dihydro-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (3S)-4-(4-methoxyphenyl)-3-(4-methylbenzoyl)-2,3-dihydro-1H-pyrazole-5-carboxylate Traditional Name: (5S)-4-(4-methoxyphenyl)-5-p-toluoyl-3-pyrazoline-3-carboxylic acid ethyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(NN1)C(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=C([C@H](NN1)C(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H22N2O4/c1-4-27-21(25)19-17(14-9-11-16(26-3)12-10-14)18(22-23-19)20(24)15-7-5-13(2)6-8-15/h5-12,18,22-23H,4H2,1-3H3/t18-/m0/s1