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

Systemtic Name: 5-[(3S)-3,5-diphenyl-1,3-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(3S)-3,5-diphenyl-1,3-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[(3S)-3,5-diphenyl-1,3-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[(3S)-3,5-diphenyl-1,3-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-[(5S)-3,5-diphenyl-3-pyrazolin-1-yl]-5-keto-valeric acid Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C=C(NN2C(=O)CCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3/c23-19(12-7-13-20(24)25)22-18(16-10-5-2-6-11-16)14-17(21-22)15-8-3-1-4-9-15/h1-6,8-11,14,18,21H,7,12-13H2,(H,24,25)/t18-/m0/s1