2-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-8-methoxy-quinoline-4-carboxylic acid

Systemtic Name: 2-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-8-methoxy-quinoline-4-carboxylic acid Openeye Name: 2-(3-bromo-4-ethoxy-5-methoxy-phenyl)-8-methoxy-quinoline-4-carboxylic acid CAS Name: 2-(3-bromo-4-ethoxy-5-methoxyphenyl)-8-methoxy-4-quinolinecarboxylic acid IUPAC Name: 2-(3-bromo-4-ethoxy-5-methoxyphenyl)-8-methoxyquinoline-4-carboxylic acid Traditional Name: 2-(3-bromo-4-ethoxy-5-methoxy-phenyl)-8-methoxy-cinchoninic acid Formula: C20H18BrNO5 MolecularWeight: 432.26462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C2=NC3=C(C=CC=C3OC)C(=C2)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C2=NC3=C(C=CC=C3OC)C(=C2)C(=O)O)OC

InChI

InChI=1S/C20H18BrNO5/c1-4-27-19-14(21)8-11(9-17(19)26-3)15-10-13(20(23)24)12-6-5-7-16(25-2)18(12)22-15/h5-10H,4H2,1-3H3,(H,23,24)