2-(3-bromanyl-5-methoxy-4-pentoxy-phenyl)-8-methoxy-quinoline-4-carboxylate

Systemtic Name: 2-(3-bromanyl-5-methoxy-4-pentoxy-phenyl)-8-methoxy-quinoline-4-carboxylate Openeye Name: 2-(3-bromo-5-methoxy-4-pentoxy-phenyl)-8-methoxy-quinoline-4-carboxylate CAS Name: 2-(3-bromo-5-methoxy-4-pentoxyphenyl)-8-methoxy-4-quinolinecarboxylate IUPAC Name: 2-(3-bromo-5-methoxy-4-pentoxyphenyl)-8-methoxyquinoline-4-carboxylate Traditional Name: 2-(4-amoxy-3-bromo-5-methoxy-phenyl)-8-methoxy-cinchoninate Formula: C23H23BrNO5- MolecularWeight: 473.33642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1Br)C2=NC3=C(C=CC=C3OC)C(=C2)C(=O)[O-])OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1Br)C2=NC3=C(C=CC=C3OC)C(=C2)C(=O)[O-])OC

InChI

InChI=1S/C23H24BrNO5/c1-4-5-6-10-30-22-17(24)11-14(12-20(22)29-3)18-13-16(23(26)27)15-8-7-9-19(28-2)21(15)25-18/h7-9,11-13H,4-6,10H2,1-3H3,(H,26,27)/p-1