2-(4-tert-butylphenyl)-6,8-dimethyl-quinoline-4-carboxylate

Systemtic Name: 2-(4-tert-butylphenyl)-6,8-dimethyl-quinoline-4-carboxylate Openeye Name: 2-(4-tert-butylphenyl)-6,8-dimethyl-quinoline-4-carboxylate CAS Name: 2-(4-tert-butylphenyl)-6,8-dimethyl-4-quinolinecarboxylate IUPAC Name: 2-(4-tert-butylphenyl)-6,8-dimethylquinoline-4-carboxylate Traditional Name: 2-(4-tert-butylphenyl)-6,8-dimethyl-cinchoninate Formula: C22H22NO2- MolecularWeight: 332.41558

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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)C(=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO2/c1-13-10-14(2)20-17(11-13)18(21(24)25)12-19(23-20)15-6-8-16(9-7-15)22(3,4)5/h6-12H,1-5H3,(H,24,25)/p-1