5-(2-methylphenyl)-2-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxylic acid

Systemtic Name: 5-(2-methylphenyl)-2-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxylic acid Openeye Name: 5-(o-tolyl)-2-[[3-(3-pyridyl)-4,5-dihydroisoxazol-5-yl]methyl]pyrazole-3-carboxylic acid CAS Name: 5-(2-methylphenyl)-2-[[3-(3-pyridinyl)-4,5-dihydroisoxazol-5-yl]methyl]-3-pyrazolecarboxylic acid IUPAC Name: 5-(2-methylphenyl)-2-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxylic acid Traditional Name: 5-(o-tolyl)-2-[[3-(3-pyridyl)-2-isoxazolin-5-yl]methyl]pyrazole-3-carboxylic acid Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C(=C2)C(=O)O)CC3CC(=NO3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C(=C2)C(=O)O)CC3CC(=NO3)C4=CN=CC=C4

InChI

InChI=1S/C20H18N4O3/c1-13-5-2-3-7-16(13)18-10-19(20(25)26)24(22-18)12-15-9-17(23-27-15)14-6-4-8-21-11-14/h2-8,10-11,15H,9,12H2,1H3,(H,25,26)