(3,3-dimethyl-2-oxidanylidene-butyl) 8-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 8-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 8-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 8-methyl-2-phenyl-4-quinolinecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 8-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 8-methyl-2-phenyl-cinchoninic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C23H23NO3 MolecularWeight: 361.43362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)OCC(=O)C(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)OCC(=O)C(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C23H23NO3/c1-15-9-8-12-17-18(22(26)27-14-20(25)23(2,3)4)13-19(24-21(15)17)16-10-6-5-7-11-16/h5-13H,14H2,1-4H3