5-[(3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[(3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[(3R)-5-(4-bromophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-[(5R)-3-(4-bromophenyl)-5-(2-methoxyphenyl)-2-pyrazolin-1-yl]-5-keto-valeric acid Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2CC(=NN2C(=O)CCCC(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC=C1[C@H]2CC(=NN2C(=O)CCCC(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN2O4/c1-28-19-6-3-2-5-16(19)18-13-17(14-9-11-15(22)12-10-14)23-24(18)20(25)7-4-8-21(26)27/h2-3,5-6,9-12,18H,4,7-8,13H2,1H3,(H,26,27)/t18-/m1/s1