3-(3,5-dimethylpyrazol-1-yl)-2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: 3-(3,5-dimethylpyrazol-1-yl)-2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: 3-(3,5-dimethylpyrazol-1-yl)-2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)-2-(4-methoxyphenyl)-4-quinolinecarboxylate IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)-2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)-2-(4-methoxyphenyl)cinchoninate Formula: C22H18N3O3- MolecularWeight: 372.39662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C3=CC=CC=C3N=C2C4=CC=C(C=C4)OC)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=C(C3=CC=CC=C3N=C2C4=CC=C(C=C4)OC)C(=O)[O-])C

InChI

InChI=1S/C22H19N3O3/c1-13-12-14(2)25(24-13)21-19(22(26)27)17-6-4-5-7-18(17)23-20(21)15-8-10-16(28-3)11-9-15/h4-12H,1-3H3,(H,26,27)/p-1