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

Systemtic Name: 5-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-[3-(4-bromophenyl)-5-(4-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=C(C=C1)C2CC(=NN2C(=O)CCCC(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CCCC(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN2O4/c1-28-17-11-7-15(8-12-17)19-13-18(14-5-9-16(22)10-6-14)23-24(19)20(25)3-2-4-21(26)27/h5-12,19H,2-4,13H2,1H3,(H,26,27)