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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC(C1C2=CC=C(C=C2)OC)C(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=NN[C@H]([C@@H]1C2=CC=C(C=C2)OC)C(=O)C3=CC=C(C=C3)C

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/h5-12,17-18,22H,4H2,1-3H3/t17-,18+/m0/s1