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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CC(=C(C(=C3)Br)OC(C)C)OC

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)O)C3=CC(=C(C(=C3)Br)OC(C)C)OC

InChI

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