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

Systemtic Name: 5-[3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-keto-5-[5-(2-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=CC=C1C2CC(=NN2C(=O)CCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1C2CC(=NN2C(=O)CCCC(=O)O)C3=CC=CC=C3

InChI

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