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

Systemtic Name: 5-[(3R)-3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(3R)-3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[(3R)-3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[(3R)-3,5-bis(4-bromophenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-[(5R)-3,5-bis(4-bromophenyl)-2-pyrazolin-1-yl]-5-keto-valeric acid Formula: C20H18Br2N2O3 MolecularWeight: 494.17652

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=C(C=C2)Br)C(=O)CCCC(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1[C@@H](N(N=C1C2=CC=C(C=C2)Br)C(=O)CCCC(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H18Br2N2O3/c21-15-8-4-13(5-9-15)17-12-18(14-6-10-16(22)11-7-14)24(23-17)19(25)2-1-3-20(26)27/h4-11,18H,1-3,12H2,(H,26,27)/t18-/m1/s1