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

Systemtic Name: 2-(3-bromanyl-5-methoxy-4-propan-2-yloxy-phenyl)-8-methoxy-quinoline-4-carboxylate Openeye Name: 2-(3-bromo-4-isopropoxy-5-methoxy-phenyl)-8-methoxy-quinoline-4-carboxylate CAS Name: 2-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)-8-methoxy-4-quinolinecarboxylate IUPAC Name: 2-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)-8-methoxyquinoline-4-carboxylate Traditional Name: 2-(3-bromo-4-isopropoxy-5-methoxy-phenyl)-8-methoxy-cinchoninate Formula: C21H19BrNO5- MolecularWeight: 445.28326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Br)C2=NC3=C(C=CC=C3OC)C(=C2)C(=O)[O-])OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Br)C2=NC3=C(C=CC=C3OC)C(=C2)C(=O)[O-])OC

InChI

InChI=1S/C21H20BrNO5/c1-11(2)28-20-15(22)8-12(9-18(20)27-4)16-10-14(21(24)25)13-6-5-7-17(26-3)19(13)23-16/h5-11H,1-4H3,(H,24,25)/p-1