[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 7-chloranyl-2,8-dimethyl-quinoline-4-carboxylate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 7-chloranyl-2,8-dimethyl-quinoline-4-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 7-chloro-2,8-dimethyl-quinoline-4-carboxylate CAS Name: 7-chloro-2,8-dimethyl-4-quinolinecarboxylic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 7-chloro-2,8-dimethylquinoline-4-carboxylate Traditional Name: 7-chloro-2,8-dimethyl-cinchoninic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C22H20ClNO3 MolecularWeight: 381.8521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=CC(=C3C)Cl)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=CC(=C3C)Cl)C)C

InChI

InChI=1S/C22H20ClNO3/c1-12-5-6-16(9-13(12)2)20(25)11-27-22(26)18-10-14(3)24-21-15(4)19(23)8-7-17(18)21/h5-10H,11H2,1-4H3