2-(4-tert-butylphenyl)-3,6-dimethyl-quinoline-4-carboxylate

Systemtic Name: 2-(4-tert-butylphenyl)-3,6-dimethyl-quinoline-4-carboxylate Openeye Name: 2-(4-tert-butylphenyl)-3,6-dimethyl-quinoline-4-carboxylate CAS Name: 2-(4-tert-butylphenyl)-3,6-dimethyl-4-quinolinecarboxylate IUPAC Name: 2-(4-tert-butylphenyl)-3,6-dimethylquinoline-4-carboxylate Traditional Name: 2-(4-tert-butylphenyl)-3,6-dimethyl-cinchoninate Formula: C22H22NO2- MolecularWeight: 332.41558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(N=C2C=C1)C3=CC=C(C=C3)C(C)(C)C)C)C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C(=C(N=C2C=C1)C3=CC=C(C=C3)C(C)(C)C)C)C(=O)[O-]

InChI

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