2-(4-tert-butylphenyl)-8-methyl-quinoline-4-carboxylate

Systemtic Name: 2-(4-tert-butylphenyl)-8-methyl-quinoline-4-carboxylate Openeye Name: 2-(4-tert-butylphenyl)-8-methyl-quinoline-4-carboxylate CAS Name: 2-(4-tert-butylphenyl)-8-methyl-4-quinolinecarboxylate IUPAC Name: 2-(4-tert-butylphenyl)-8-methylquinoline-4-carboxylate Traditional Name: 2-(4-tert-butylphenyl)-8-methyl-cinchoninate Formula: C21H20NO2- MolecularWeight: 318.389

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)[O-])C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)[O-])C3=CC=C(C=C3)C(C)(C)C

InChI

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