[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl quinoline-2-carboxylate

Systemtic Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl quinoline-2-carboxylate Openeye Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid [4-(3,5-dimethyl-1-pyrazolyl)phenyl]methyl ester IUPAC Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl quinoline-2-carboxylate Traditional Name: quinaldic acid [4-(3,5-dimethylpyrazol-1-yl)benzyl] ester Formula: C22H19N3O2 MolecularWeight: 357.40516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)COC(=O)C3=NC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)COC(=O)C3=NC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C22H19N3O2/c1-15-13-16(2)25(24-15)19-10-7-17(8-11-19)14-27-22(26)21-12-9-18-5-3-4-6-20(18)23-21/h3-13H,14H2,1-2H3