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

Systemtic Name: phenacyl 2-(3-chlorophenyl)-3,8-dimethyl-quinoline-4-carboxylate Openeye Name: phenacyl 2-(3-chlorophenyl)-3,8-dimethyl-quinoline-4-carboxylate CAS Name: 2-(3-chlorophenyl)-3,8-dimethyl-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 2-(3-chlorophenyl)-3,8-dimethylquinoline-4-carboxylate Traditional Name: 2-(3-chlorophenyl)-3,8-dimethyl-cinchoninic acid phenacyl ester Formula: C26H20ClNO3 MolecularWeight: 429.8949

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C(=C(N=C12)C3=CC(=CC=C3)Cl)C)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=C(C(=C(N=C12)C3=CC(=CC=C3)Cl)C)C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H20ClNO3/c1-16-8-6-13-21-23(26(30)31-15-22(29)18-9-4-3-5-10-18)17(2)25(28-24(16)21)19-11-7-12-20(27)14-19/h3-14H,15H2,1-2H3