2-[4-[(5-butyl-2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(5-butyl-2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5-butyl-2-methyl-3-oxo-1H-pyrazol-4-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(5-butyl-2-methyl-3-oxo-1H-pyrazol-4-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5-butyl-2-methyl-3-oxo-1H-pyrazol-4-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(3-butyl-5-keto-1-methyl-3-pyrazolin-4-yl)methyl]phenyl]benzoic acid Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=O)N(N1)C)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCC1=C(C(=O)N(N1)C)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H24N2O3/c1-3-4-9-20-19(21(25)24(2)23-20)14-15-10-12-16(13-11-15)17-7-5-6-8-18(17)22(26)27/h5-8,10-13,23H,3-4,9,14H2,1-2H3,(H,26,27)