2-[6-bromanyl-2-methyl-4-(4-methylphenyl)quinolin-3-yl]pentanoic acid

Systemtic Name: 2-[6-bromanyl-2-methyl-4-(4-methylphenyl)quinolin-3-yl]pentanoic acid Openeye Name: 2-[6-bromo-2-methyl-4-(p-tolyl)-3-quinolyl]pentanoic acid CAS Name: 2-[6-bromo-2-methyl-4-(4-methylphenyl)-3-quinolinyl]pentanoic acid IUPAC Name: 2-[6-bromo-2-methyl-4-(4-methylphenyl)quinolin-3-yl]pentanoic acid Traditional Name: 2-[6-bromo-2-methyl-4-(p-tolyl)-3-quinolyl]valeric acid Formula: C22H22BrNO2 MolecularWeight: 412.31958

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(N=C2C=CC(=CC2=C1C3=CC=C(C=C3)C)Br)C)C(=O)O

Isomeric SMILES

CCCC(C1=C(N=C2C=CC(=CC2=C1C3=CC=C(C=C3)C)Br)C)C(=O)O

InChI

InChI=1S/C22H22BrNO2/c1-4-5-17(22(25)26)20-14(3)24-19-11-10-16(23)12-18(19)21(20)15-8-6-13(2)7-9-15/h6-12,17H,4-5H2,1-3H3,(H,25,26)