5-[(3R)-5-(4-bromophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(3R)-5-(4-bromophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3R)-5-(4-bromophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3R)-5-(4-bromophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3R)-5-(4-bromophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-[(5R)-3-(4-bromophenyl)-5-(2-hydroxyphenyl)-2-pyrazolin-1-yl]-5-keto-valerate Formula: C20H18BrN2O4- MolecularWeight: 430.27192

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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=CC=C3O

Isomeric SMILES

C1[C@@H](N(N=C1C2=CC=C(C=C2)Br)C(=O)CCCC(=O)[O-])C3=CC=CC=C3O

InChI

InChI=1S/C20H19BrN2O4/c21-14-10-8-13(9-11-14)16-12-17(15-4-1-2-5-18(15)24)23(22-16)19(25)6-3-7-20(26)27/h1-2,4-5,8-11,17,24H,3,6-7,12H2,(H,26,27)/p-1/t17-/m1/s1