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

Systemtic Name: butyl 2-(bromomethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinoline-3-carboxylate Openeye Name: butyl 2-(bromomethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinoline-3-carboxylate CAS Name: 2-(bromomethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-quinolinecarboxylic acid butyl ester IUPAC Name: butyl 2-(bromomethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinoline-3-carboxylate Traditional Name: 2-(bromomethyl)-4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-quinoline-3-carboxylic acid butyl ester Formula: C25H28BrNO6 MolecularWeight: 518.39692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C2=CC(=C(C=C2N=C1CBr)OC)OC)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCOC(=O)C1=C(C2=CC(=C(C=C2N=C1CBr)OC)OC)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H28BrNO6/c1-6-7-10-33-25(28)24-18(14-26)27-17-13-22(32-5)21(31-4)12-16(17)23(24)15-8-9-19(29-2)20(11-15)30-3/h8-9,11-13H,6-7,10,14H2,1-5H3