2-[4-[(5-methanoyl-3-propyl-pyrazol-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(5-methanoyl-3-propyl-pyrazol-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(5-formyl-3-propyl-pyrazol-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(5-formyl-3-propyl-1-pyrazolyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(5-formyl-3-propylpyrazol-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(5-formyl-3-propyl-pyrazol-1-yl)methyl]phenyl]benzoic acid Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=C1)C=O)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCC1=NN(C(=C1)C=O)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H20N2O3/c1-2-5-17-12-18(14-24)23(22-17)13-15-8-10-16(11-9-15)19-6-3-4-7-20(19)21(25)26/h3-4,6-12,14H,2,5,13H2,1H3,(H,25,26)