(4-tert-butylphenyl) 2-methylquinoline-4-carboxylate

Systemtic Name: (4-tert-butylphenyl) 2-methylquinoline-4-carboxylate Openeye Name: (4-tert-butylphenyl) 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid (4-tert-butylphenyl) ester Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC3=CC=C(C=C3)C(C)(C)C

InChI

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