6-[(3R)-5-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-2,3-dimethoxy-benzoic acid

Systemtic Name: 6-[(3R)-5-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-2,3-dimethoxy-benzoic acid Openeye Name: 6-[(3R)-5-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-2,3-dimethoxy-benzoic acid CAS Name: 6-[(3R)-5-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-2,3-dimethoxybenzoic acid IUPAC Name: 6-[(3R)-5-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-2,3-dimethoxybenzoic acid Traditional Name: 6-[(3R)-5-(4-bromophenyl)-2-phenyl-2-pyrazolin-3-yl]-2,3-dimethoxy-benzoic acid Formula: C24H21BrN2O4 MolecularWeight: 481.33854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)Br)C(=O)O)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)[C@H]2CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)Br)C(=O)O)OC

InChI

InChI=1S/C24H21BrN2O4/c1-30-21-13-12-18(22(24(28)29)23(21)31-2)20-14-19(15-8-10-16(25)11-9-15)26-27(20)17-6-4-3-5-7-17/h3-13,20H,14H2,1-2H3,(H,28,29)/t20-/m1/s1