6-bromanyl-7-chloranyl-3,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-7-chloranyl-3,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid Openeye Name: 2-(4-benzyloxyphenyl)-6-bromo-7-chloro-3,8-dimethyl-quinoline-4-carboxylic acid CAS Name: 6-bromo-7-chloro-3,8-dimethyl-2-(4-phenylmethoxyphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-7-chloro-3,8-dimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylic acid Traditional Name: 2-(4-benzoxyphenyl)-6-bromo-7-chloro-3,8-dimethyl-cinchoninic acid Formula: C25H19BrClNO3 MolecularWeight: 496.78026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C(=C2N=C1C3=CC=C(C=C3)OCC4=CC=CC=C4)C)Cl)Br)C(=O)O

Isomeric SMILES

CC1=C(C2=CC(=C(C(=C2N=C1C3=CC=C(C=C3)OCC4=CC=CC=C4)C)Cl)Br)C(=O)O

InChI

InChI=1S/C25H19BrClNO3/c1-14-21(25(29)30)19-12-20(26)22(27)15(2)24(19)28-23(14)17-8-10-18(11-9-17)31-13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,29,30)