phenacyl 7-chloranyl-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: phenacyl 7-chloranyl-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate Openeye Name: phenacyl 7-chloro-3,8-dimethyl-2-phenyl-quinoline-4-carboxylate CAS Name: 7-chloro-3,8-dimethyl-2-phenyl-4-quinolinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 7-chloro-3,8-dimethyl-2-phenylquinoline-4-carboxylate Traditional Name: 7-chloro-3,8-dimethyl-2-phenyl-cinchoninic acid phenacyl ester Formula: C26H20ClNO3 MolecularWeight: 429.8949

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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