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

Systemtic Name: 2-(3-bromanyl-4-butoxy-5-methoxy-phenyl)-6-methyl-quinoline-4-carboxylate Openeye Name: 2-(3-bromo-4-butoxy-5-methoxy-phenyl)-6-methyl-quinoline-4-carboxylate CAS Name: 2-(3-bromo-4-butoxy-5-methoxyphenyl)-6-methyl-4-quinolinecarboxylate IUPAC Name: 2-(3-bromo-4-butoxy-5-methoxyphenyl)-6-methylquinoline-4-carboxylate Traditional Name: 2-(3-bromo-4-butoxy-5-methoxy-phenyl)-6-methyl-cinchoninate Formula: C22H21BrNO4- MolecularWeight: 443.31044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Br)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)[O-])OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Br)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)[O-])OC

InChI

InChI=1S/C22H22BrNO4/c1-4-5-8-28-21-17(23)10-14(11-20(21)27-3)19-12-16(22(25)26)15-9-13(2)6-7-18(15)24-19/h6-7,9-12H,4-5,8H2,1-3H3,(H,25,26)/p-1