ethyl 2-(chloromethyl)-4-(3,4-dimethoxyphenyl)-6,7-diethoxy-quinoline-3-carboxylate

Systemtic Name: ethyl 2-(chloromethyl)-4-(3,4-dimethoxyphenyl)-6,7-diethoxy-quinoline-3-carboxylate Openeye Name: ethyl 2-(chloromethyl)-4-(3,4-dimethoxyphenyl)-6,7-diethoxy-quinoline-3-carboxylate CAS Name: 2-(chloromethyl)-4-(3,4-dimethoxyphenyl)-6,7-diethoxy-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(chloromethyl)-4-(3,4-dimethoxyphenyl)-6,7-diethoxyquinoline-3-carboxylate Traditional Name: 2-(chloromethyl)-4-(3,4-dimethoxyphenyl)-6,7-diethoxy-quinoline-3-carboxylic acid ethyl ester Formula: C25H28ClNO6 MolecularWeight: 473.94592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=C(C(=N2)CCl)C(=O)OCC)C3=CC(=C(C=C3)OC)OC)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=C(C(=N2)CCl)C(=O)OCC)C3=CC(=C(C=C3)OC)OC)OCC

InChI

InChI=1S/C25H28ClNO6/c1-6-31-21-12-16-17(13-22(21)32-7-2)27-18(14-26)24(25(28)33-8-3)23(16)15-9-10-19(29-4)20(11-15)30-5/h9-13H,6-8,14H2,1-5H3