(3,3-dimethyl-2-oxidanylidene-butyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)cinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H23NO4 MolecularWeight: 377.43302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H23NO4/c1-23(2,3)21(25)14-28-22(26)18-13-20(15-9-11-16(27-4)12-10-15)24-19-8-6-5-7-17(18)19/h5-13H,14H2,1-4H3