5-[(3S)-3-(4-bromophenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(3S)-3-(4-bromophenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(3S)-3-(4-bromophenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[(3S)-3-(4-bromophenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[(3S)-3-(4-bromophenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-[(5S)-5-(4-bromophenyl)-3-phenyl-3-pyrazolin-1-yl]-5-keto-valeric acid Formula: C20H19BrN2O3 MolecularWeight: 415.28046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(N(N2)C(=O)CCCC(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C2=C[C@H](N(N2)C(=O)CCCC(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H19BrN2O3/c21-16-11-9-15(10-12-16)18-13-17(14-5-2-1-3-6-14)22-23(18)19(24)7-4-8-20(25)26/h1-3,5-6,9-13,18,22H,4,7-8H2,(H,25,26)/t18-/m0/s1