2-(2,5-dimethylphenyl)quinoline-4-carboxylate

Systemtic Name: 2-(2,5-dimethylphenyl)quinoline-4-carboxylate Openeye Name: 2-(2,5-dimethylphenyl)quinoline-4-carboxylate CAS Name: 2-(2,5-dimethylphenyl)-4-quinolinecarboxylate IUPAC Name: 2-(2,5-dimethylphenyl)quinoline-4-carboxylate Traditional Name: 2-(2,5-dimethylphenyl)cinchoninate Formula: C18H14NO2- MolecularWeight: 276.30926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NC3=CC=CC=C3C(=C2)C(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NC3=CC=CC=C3C(=C2)C(=O)[O-]

InChI

InChI=1S/C18H15NO2/c1-11-7-8-12(2)14(9-11)17-10-15(18(20)21)13-5-3-4-6-16(13)19-17/h3-10H,1-2H3,(H,20,21)/p-1