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

Systemtic Name: ethyl (3S)-4-(4-methoxyphenyl)-3-(4-methoxyphenyl)carbonyl-2,3-dihydro-1H-pyrazole-5-carboxylate Openeye Name: ethyl (3S)-3-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-2,3-dihydro-1H-pyrazole-5-carboxylate CAS Name: (3S)-4-(4-methoxyphenyl)-3-[(4-methoxyphenyl)-oxomethyl]-2,3-dihydro-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-2,3-dihydro-1H-pyrazole-5-carboxylate Traditional Name: (5S)-4-(4-methoxyphenyl)-5-p-anisoyl-3-pyrazoline-3-carboxylic acid ethyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5/c1-4-28-21(25)19-17(13-5-9-15(26-2)10-6-13)18(22-23-19)20(24)14-7-11-16(27-3)12-8-14/h5-12,18,22-23H,4H2,1-3H3/t18-/m0/s1