ethyl 4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-6,7-dimethoxy-quinoline-3-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-6,7-dimethoxy-quinoline-3-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-6,7-dimethoxy-quinoline-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-6,7-dimethoxy-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-6,7-dimethoxyquinoline-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-(chloromethyl)-6,7-dimethoxy-quinoline-3-carboxylic acid ethyl ester Formula: C22H20ClNO6 MolecularWeight: 429.8503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1CCl)OC)OC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N=C1CCl)OC)OC)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H20ClNO6/c1-4-28-22(25)21-15(10-23)24-14-9-18(27-3)17(26-2)8-13(14)20(21)12-5-6-16-19(7-12)30-11-29-16/h5-9H,4,10-11H2,1-3H3