(4-tert-butyl-2,6-dimethyl-phenyl)methyl quinoline-2-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl quinoline-2-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl quinoline-2-carboxylate Traditional Name: quinaldic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C23H25NO2 MolecularWeight: 347.4501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=NC3=CC=CC=C3C=C2)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=NC3=CC=CC=C3C=C2)C)C(C)(C)C

InChI

InChI=1S/C23H25NO2/c1-15-12-18(23(3,4)5)13-16(2)19(15)14-26-22(25)21-11-10-17-8-6-7-9-20(17)24-21/h6-13H,14H2,1-5H3