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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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