6-bromanyl-7,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-7,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid Openeye Name: 2-(4-benzyloxyphenyl)-6-bromo-7,8-dimethyl-quinoline-4-carboxylic acid CAS Name: 6-bromo-7,8-dimethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-7,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 2-(4-benzoxyphenyl)-6-bromo-7,8-dimethyl-cinchoninic acid Formula: C25H20BrNO3 MolecularWeight: 462.3352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=NC2=C1C)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)O)Br

Isomeric SMILES

CC1=C(C=C2C(=CC(=NC2=C1C)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)O)Br

InChI

InChI=1S/C25H20BrNO3/c1-15-16(2)24-20(12-22(15)26)21(25(28)29)13-23(27-24)18-8-10-19(11-9-18)30-14-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,28,29)