2-[4-[(7-oxidanylidene-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(7-oxidanylidene-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(7-oxo-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(7-oxo-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(7-oxo-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(7-keto-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]phenyl]benzoic acid Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)N2C(=N1)C=CN2)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CCCC1=C(C(=O)N2C(=N1)C=CN2)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C23H21N3O3/c1-2-5-20-19(22(27)26-21(25-20)12-13-24-26)14-15-8-10-16(11-9-15)17-6-3-4-7-18(17)23(28)29/h3-4,6-13,24H,2,5,14H2,1H3,(H,28,29)