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

Systemtic Name: 2-(chloromethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinoline-3-carboxylate Openeye Name: 2-(chloromethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinoline-3-carboxylate CAS Name: 2-(chloromethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-quinolinecarboxylate IUPAC Name: 2-(chloromethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline-3-carboxylate Traditional Name: 2-(chloromethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinoline-3-carboxylate Formula: C21H19ClNO6- MolecularWeight: 416.83166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C(=NC3=CC(=C(C=C32)OC)OC)CCl)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C(=NC3=CC(=C(C=C32)OC)OC)CCl)C(=O)[O-])OC

InChI

InChI=1S/C21H20ClNO6/c1-26-15-6-5-11(7-16(15)27-2)19-12-8-17(28-3)18(29-4)9-13(12)23-14(10-22)20(19)21(24)25/h5-9H,10H2,1-4H3,(H,24,25)/p-1