2-[5-(2-bromanyl-4-methyl-phenyl)furan-2-yl]-6-methyl-quinoline-4-carboxylate

Systemtic Name: 2-[5-(2-bromanyl-4-methyl-phenyl)furan-2-yl]-6-methyl-quinoline-4-carboxylate Openeye Name: 2-[5-(2-bromo-4-methyl-phenyl)-2-furyl]-6-methyl-quinoline-4-carboxylate CAS Name: 2-[5-(2-bromo-4-methylphenyl)-2-furanyl]-6-methyl-4-quinolinecarboxylate IUPAC Name: 2-[5-(2-bromo-4-methylphenyl)furan-2-yl]-6-methylquinoline-4-carboxylate Traditional Name: 2-[5-(2-bromo-4-methyl-phenyl)-2-furyl]-6-methyl-cinchoninate Formula: C22H15BrNO3- MolecularWeight: 421.2634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C3=CC=C(O3)C4=C(C=C(C=C4)C)Br

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)[O-])C3=CC=C(O3)C4=C(C=C(C=C4)C)Br

InChI

InChI=1S/C22H16BrNO3/c1-12-4-6-18-15(9-12)16(22(25)26)11-19(24-18)21-8-7-20(27-21)14-5-3-13(2)10-17(14)23/h3-11H,1-2H3,(H,25,26)/p-1