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

Systemtic Name: 2-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-8-methyl-quinoline-4-carboxylic acid Openeye Name: 2-(3-bromo-4-ethoxy-5-methoxy-phenyl)-8-methyl-quinoline-4-carboxylic acid CAS Name: 2-(3-bromo-4-ethoxy-5-methoxyphenyl)-8-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-(3-bromo-4-ethoxy-5-methoxyphenyl)-8-methylquinoline-4-carboxylic acid Traditional Name: 2-(3-bromo-4-ethoxy-5-methoxy-phenyl)-8-methyl-cinchoninic acid Formula: C20H18BrNO4 MolecularWeight: 416.26522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C2=NC3=C(C=CC=C3C)C(=C2)C(=O)O)OC

InChI

InChI=1S/C20H18BrNO4/c1-4-26-19-15(21)8-12(9-17(19)25-3)16-10-14(20(23)24)13-7-5-6-11(2)18(13)22-16/h5-10H,4H2,1-3H3,(H,23,24)