heptyl 6-bromanyl-2-(4-methoxyphenyl)quinoline-4-carboxylate

Systemtic Name: heptyl 6-bromanyl-2-(4-methoxyphenyl)quinoline-4-carboxylate Openeye Name: heptyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate CAS Name: 6-bromo-2-(4-methoxyphenyl)-4-quinolinecarboxylic acid heptyl ester IUPAC Name: heptyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate Traditional Name: 6-bromo-2-(4-methoxyphenyl)cinchoninic acid heptyl ester Formula: C24H26BrNO3 MolecularWeight: 456.37214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCCCCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC=C(C=C3)OC

InChI

InChI=1S/C24H26BrNO3/c1-3-4-5-6-7-14-29-24(27)21-16-23(17-8-11-19(28-2)12-9-17)26-22-13-10-18(25)15-20(21)22/h8-13,15-16H,3-7,14H2,1-2H3