6-bromanyl-2-(3-butoxyphenyl)quinoline-4-carboxylate

Systemtic Name: 6-bromanyl-2-(3-butoxyphenyl)quinoline-4-carboxylate Openeye Name: 6-bromo-2-(3-butoxyphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(3-butoxyphenyl)-4-quinolinecarboxylate IUPAC Name: 6-bromo-2-(3-butoxyphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(3-butoxyphenyl)cinchoninate Formula: C20H17BrNO3- MolecularWeight: 399.25788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)[O-]

InChI

InChI=1S/C20H18BrNO3/c1-2-3-9-25-15-6-4-5-13(10-15)19-12-17(20(23)24)16-11-14(21)7-8-18(16)22-19/h4-8,10-12H,2-3,9H2,1H3,(H,23,24)/p-1