2-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-8-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(3-bromanyl-5-methoxy-4-propoxy-phenyl)-8-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(3-bromo-5-methoxy-4-propoxy-phenyl)-8-methyl-quinoline-4-carboxylic acid CAS Name: 2-(3-bromo-5-methoxy-4-propoxyphenyl)-8-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(3-bromo-5-methoxy-4-propoxyphenyl)-8-methylquinoline-4-carboxylic acid Traditional Name: 2-(3-bromo-5-methoxy-4-propoxy-phenyl)-8-methyl-cinchoninic acid Formula: C21H20BrNO4 MolecularWeight: 430.2918

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)O)OC

InChI

InChI=1S/C21H20BrNO4/c1-4-8-27-20-16(22)9-13(10-18(20)26-3)17-11-15(21(24)25)14-7-5-6-12(2)19(14)23-17/h5-7,9-11H,4,8H2,1-3H3,(H,24,25)