2-(4-tert-butylphenyl)-6-methoxy-quinoline-4-carboxylic acid

Systemtic Name: 2-(4-tert-butylphenyl)-6-methoxy-quinoline-4-carboxylic acid Openeye Name: 2-(4-tert-butylphenyl)-6-methoxy-quinoline-4-carboxylic acid CAS Name: 2-(4-tert-butylphenyl)-6-methoxy-4-quinolinecarboxylic acid IUPAC Name: 2-(4-tert-butylphenyl)-6-methoxyquinoline-4-carboxylic acid Traditional Name: 2-(4-tert-butylphenyl)-6-methoxy-cinchoninic acid Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)OC)C(=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)OC)C(=C2)C(=O)O

InChI

InChI=1S/C21H21NO3/c1-21(2,3)14-7-5-13(6-8-14)19-12-17(20(23)24)16-11-15(25-4)9-10-18(16)22-19/h5-12H,1-4H3,(H,23,24)