(3,3-dimethyl-2-oxidanylidene-butyl) 2-naphthalen-1-ylquinoline-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-naphthalen-1-ylquinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-(1-naphthyl)quinoline-4-carboxylate CAS Name: 2-(1-naphthalenyl)-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-naphthalen-1-ylquinoline-4-carboxylate Traditional Name: 2-(1-naphthyl)cinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C26H23NO3 MolecularWeight: 397.46572

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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=CC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H23NO3/c1-26(2,3)24(28)16-30-25(29)21-15-23(27-22-14-7-6-12-20(21)22)19-13-8-10-17-9-4-5-11-18(17)19/h4-15H,16H2,1-3H3