(3,3-dimethyl-2-oxidanylidene-butyl) 2-phenylquinoline-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-phenylquinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H21NO3 MolecularWeight: 347.40704

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO3/c1-22(2,3)20(24)14-26-21(25)17-13-19(15-9-5-4-6-10-15)23-18-12-8-7-11-16(17)18/h4-13H,14H2,1-3H3