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

Systemtic Name: 5-[(3S)-3-(4-ethylphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(3S)-3-(4-ethylphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[(3S)-3-(4-ethylphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[(3S)-3-(4-ethylphenyl)-5-phenyl-1,3-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-[(5S)-5-(4-ethylphenyl)-3-phenyl-3-pyrazolin-1-yl]-5-keto-valeric acid Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C=C(NN2C(=O)CCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H]2C=C(NN2C(=O)CCCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O3/c1-2-16-11-13-18(14-12-16)20-15-19(17-7-4-3-5-8-17)23-24(20)21(25)9-6-10-22(26)27/h3-5,7-8,11-15,20,23H,2,6,9-10H2,1H3,(H,26,27)/t20-/m0/s1