3-(azepan-1-yl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 3-(azepan-1-yl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid Openeye Name: 3-(azepan-1-yl)-8-methyl-2-(p-tolyl)quinoline-4-carboxylic acid CAS Name: 3-(1-azepanyl)-8-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 3-(azepan-1-yl)-8-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid Traditional Name: 3-(azepan-1-yl)-8-methyl-2-(p-tolyl)cinchoninic acid Formula: C24H26N2O2 MolecularWeight: 374.47544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=C3C=CC=C(C3=N2)C)C(=O)O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C3C=CC=C(C3=N2)C)C(=O)O)N4CCCCCC4

InChI

InChI=1S/C24H26N2O2/c1-16-10-12-18(13-11-16)22-23(26-14-5-3-4-6-15-26)20(24(27)28)19-9-7-8-17(2)21(19)25-22/h7-13H,3-6,14-15H2,1-2H3,(H,27,28)