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

Systemtic Name: 3-(azepan-1-yl)-2-(4-methylphenyl)quinoline-4-carboxylic acid Openeye Name: 3-(azepan-1-yl)-2-(p-tolyl)quinoline-4-carboxylic acid CAS Name: 3-(1-azepanyl)-2-(4-methylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 3-(azepan-1-yl)-2-(4-methylphenyl)quinoline-4-carboxylic acid Traditional Name: 3-(azepan-1-yl)-2-(p-tolyl)cinchoninic acid Formula: C23H24N2O2 MolecularWeight: 360.44886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2N4CCCCCC4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2N4CCCCCC4)C(=O)O

InChI

InChI=1S/C23H24N2O2/c1-16-10-12-17(13-11-16)21-22(25-14-6-2-3-7-15-25)20(23(26)27)18-8-4-5-9-19(18)24-21/h4-5,8-13H,2-3,6-7,14-15H2,1H3,(H,26,27)