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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C2=NC3=C(C=CC=C3OC)C(=C2)C(=O)[O-])OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C2=NC3=C(C=CC=C3OC)C(=C2)C(=O)[O-])OC

InChI

InChI=1S/C21H20BrNO5/c1-4-8-28-20-15(22)9-12(10-18(20)27-3)16-11-14(21(24)25)13-6-5-7-17(26-2)19(13)23-16/h5-7,9-11H,4,8H2,1-3H3,(H,24,25)/p-1