quinolin-8-yl 3,6,8-trimethyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: quinolin-8-yl 3,6,8-trimethyl-2-phenyl-quinoline-4-carboxylate Openeye Name: 8-quinolyl 3,6,8-trimethyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3,6,8-trimethyl-2-phenyl-4-quinolinecarboxylic acid 8-quinolinyl ester IUPAC Name: quinolin-8-yl 3,6,8-trimethyl-2-phenylquinoline-4-carboxylate Traditional Name: 3,6,8-trimethyl-2-phenyl-cinchoninic acid 8-quinolyl ester Formula: C28H22N2O2 MolecularWeight: 418.48648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H22N2O2/c1-17-15-18(2)25-22(16-17)24(19(3)26(30-25)20-9-5-4-6-10-20)28(31)32-23-13-7-11-21-12-8-14-29-27(21)23/h4-16H,1-3H3