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

Systemtic Name: ethyl (4S,5R)-4-(2-chlorophenyl)-5-(4-methoxyphenyl)carbonyl-4,5-dihydro-1H-pyrazole-3-carboxylate Openeye Name: ethyl (4S,5R)-4-(2-chlorophenyl)-5-(4-methoxybenzoyl)-4,5-dihydro-1H-pyrazole-3-carboxylate CAS Name: (4S,5R)-4-(2-chlorophenyl)-5-[(4-methoxyphenyl)-oxomethyl]-4,5-dihydro-1H-pyrazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R)-4-(2-chlorophenyl)-5-(4-methoxybenzoyl)-4,5-dihydro-1H-pyrazole-3-carboxylate Traditional Name: (4S,5R)-4-(2-chlorophenyl)-5-p-anisoyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C20H19ClN2O4 MolecularWeight: 386.82886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC(C1C2=CC=CC=C2Cl)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=NN[C@H]([C@@H]1C2=CC=CC=C2Cl)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H19ClN2O4/c1-3-27-20(25)18-16(14-6-4-5-7-15(14)21)17(22-23-18)19(24)12-8-10-13(26-2)11-9-12/h4-11,16-17,22H,3H2,1-2H3/t16-,17+/m0/s1