quinolin-8-yl 6,8-dimethyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: quinolin-8-yl 6,8-dimethyl-2-phenyl-quinoline-4-carboxylate Openeye Name: 8-quinolyl 6,8-dimethyl-2-phenyl-quinoline-4-carboxylate CAS Name: 6,8-dimethyl-2-phenyl-4-quinolinecarboxylic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl 6,8-dimethyl-2-phenylquinoline-4-carboxylate Traditional Name: 6,8-dimethyl-2-phenyl-cinchoninic acid 8-quinolyl ester Formula: C27H20N2O2 MolecularWeight: 404.4599

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CC=C3)C(=O)OC4=CC=CC5=C4N=CC=C5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CC=C3)C(=O)OC4=CC=CC5=C4N=CC=C5)C

InChI

InChI=1S/C27H20N2O2/c1-17-14-18(2)25-21(15-17)22(16-23(29-25)19-8-4-3-5-9-19)27(30)31-24-12-6-10-20-11-7-13-28-26(20)24/h3-16H,1-2H3