3-(azepan-1-yl)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 3-(azepan-1-yl)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid Openeye Name: 3-(azepan-1-yl)-6-methyl-2-(p-tolyl)quinoline-4-carboxylic acid CAS Name: 3-(1-azepanyl)-6-methyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 3-(azepan-1-yl)-6-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid Traditional Name: 3-(azepan-1-yl)-6-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=C(C=CC3=N2)C)C(=O)O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)C)C(=O)O)N4CCCCCC4

InChI

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