6,8-dimethyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylate

Systemtic Name: 6,8-dimethyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylate Openeye Name: 2-(4-isopropylphenyl)-6,8-dimethyl-quinoline-4-carboxylate CAS Name: 6,8-dimethyl-2-(4-propan-2-ylphenyl)-4-quinolinecarboxylate IUPAC Name: 6,8-dimethyl-2-(4-propan-2-ylphenyl)quinoline-4-carboxylate Traditional Name: 6,8-dimethyl-2-p-cumenyl-cinchoninate Formula: C21H20NO2- MolecularWeight: 318.389

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)C(C)C)C(=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)C(C)C)C(=O)[O-])C

InChI

InChI=1S/C21H21NO2/c1-12(2)15-5-7-16(8-6-15)19-11-18(21(23)24)17-10-13(3)9-14(4)20(17)22-19/h5-12H,1-4H3,(H,23,24)/p-1