[2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 2-chloranylbenzoate

Systemtic Name: [2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl] 2-chloranylbenzoate Openeye Name: [2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl] 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid [2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid [2-keto-2-[(5R)-5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]ethyl] ester Formula: C25H21ClN2O4 MolecularWeight: 448.89824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)COC(=O)C3=CC=CC=C3Cl)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=NN2C(=O)COC(=O)C3=CC=CC=C3Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H21ClN2O4/c1-31-19-13-11-18(12-14-19)23-15-22(17-7-3-2-4-8-17)27-28(23)24(29)16-32-25(30)20-9-5-6-10-21(20)26/h2-14,23H,15-16H2,1H3/t23-/m1/s1