phenacyl 2-(3-chlorophenyl)-3,6,8-trimethyl-quinoline-4-carboxylate

Systemtic Name: phenacyl 2-(3-chlorophenyl)-3,6,8-trimethyl-quinoline-4-carboxylate Openeye Name: phenacyl 2-(3-chlorophenyl)-3,6,8-trimethyl-quinoline-4-carboxylate CAS Name: 2-(3-chlorophenyl)-3,6,8-trimethyl-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-3,6,8-trimethyl-cinchoninic acid phenacyl ester Formula: C27H22ClNO3 MolecularWeight: 443.92148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=C(C(=N2)C3=CC(=CC=C3)Cl)C)C(=O)OCC(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=C(C(=N2)C3=CC(=CC=C3)Cl)C)C(=O)OCC(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C27H22ClNO3/c1-16-12-17(2)25-22(13-16)24(18(3)26(29-25)20-10-7-11-21(28)14-20)27(31)32-15-23(30)19-8-5-4-6-9-19/h4-14H,15H2,1-3H3