5-[(3R)-3-(2-hydroxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(3R)-3-(2-hydroxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3R)-3-(2-hydroxyphenyl)-5-(p-tolyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3R)-3-(2-hydroxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3R)-3-(2-hydroxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-[(5R)-5-(2-hydroxyphenyl)-3-(p-tolyl)-2-pyrazolin-1-yl]-5-keto-valerate Formula: C21H21N2O4- MolecularWeight: 365.40244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3O)C(=O)CCCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN([C@H](C2)C3=CC=CC=C3O)C(=O)CCCC(=O)[O-]

InChI

InChI=1S/C21H22N2O4/c1-14-9-11-15(12-10-14)17-13-18(16-5-2-3-6-19(16)24)23(22-17)20(25)7-4-8-21(26)27/h2-3,5-6,9-12,18,24H,4,7-8,13H2,1H3,(H,26,27)/p-1/t18-/m1/s1