2-(3-bromanyl-4-hexoxy-5-methoxy-phenyl)-6-methyl-quinoline-4-carboxylate

Systemtic Name: 2-(3-bromanyl-4-hexoxy-5-methoxy-phenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: 2-(3-bromo-4-hexoxy-5-methoxy-phenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(3-bromo-4-hexoxy-5-methoxyphenyl)-6-methyl-4-quinolinecarboxylate IUPAC Name: 2-(3-bromo-4-hexoxy-5-methoxyphenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(3-bromo-4-hexoxy-5-methoxy-phenyl)-6-methyl-cinchoninate Formula: C24H25BrNO4- MolecularWeight: 471.3636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1Br)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)[O-])OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1Br)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)[O-])OC

InChI

InChI=1S/C24H26BrNO4/c1-4-5-6-7-10-30-23-19(25)12-16(13-22(23)29-3)21-14-18(24(27)28)17-11-15(2)8-9-20(17)26-21/h8-9,11-14H,4-7,10H2,1-3H3,(H,27,28)/p-1