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

Systemtic Name: 5-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-keto-5-[5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]valeric acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CCCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4/c1-27-17-12-10-16(11-13-17)19-14-18(15-6-3-2-4-7-15)22-23(19)20(24)8-5-9-21(25)26/h2-4,6-7,10-13,19H,5,8-9,14H2,1H3,(H,25,26)