2-(4-tert-butylphenyl)-6-methyl-quinoline-4-carboxylate

Systemtic Name: 2-(4-tert-butylphenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: 2-(4-tert-butylphenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(4-tert-butylphenyl)-6-methyl-4-quinolinecarboxylate IUPAC Name: 2-(4-tert-butylphenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(4-tert-butylphenyl)-6-methyl-cinchoninate Formula: C21H20NO2- MolecularWeight: 318.389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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