2-[2-(3-bromanyl-4-methoxy-phenyl)ethylamino]-7-methoxy-quinoline-3-carboxylic acid

Systemtic Name: 2-[2-(3-bromanyl-4-methoxy-phenyl)ethylamino]-7-methoxy-quinoline-3-carboxylic acid Openeye Name: 2-[2-(3-bromo-4-methoxy-phenyl)ethylamino]-7-methoxy-quinoline-3-carboxylic acid CAS Name: 2-[2-(3-bromo-4-methoxyphenyl)ethylamino]-7-methoxy-3-quinolinecarboxylic acid IUPAC Name: 2-[2-(3-bromo-4-methoxyphenyl)ethylamino]-7-methoxyquinoline-3-carboxylic acid Traditional Name: 2-[2-(3-bromo-4-methoxy-phenyl)ethylamino]-7-methoxy-quinoline-3-carboxylic acid Formula: C20H19BrN2O4 MolecularWeight: 431.27986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)C(=O)O)NCCC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)C(=O)O)NCCC3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C20H19BrN2O4/c1-26-14-5-4-13-10-15(20(24)25)19(23-17(13)11-14)22-8-7-12-3-6-18(27-2)16(21)9-12/h3-6,9-11H,7-8H2,1-2H3,(H,22,23)(H,24,25)