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

Systemtic Name: 3-(azepan-1-yl)-8-methyl-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-(azepan-1-yl)-8-methyl-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-(1-azepanyl)-8-methyl-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-(azepan-1-yl)-8-methyl-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-(azepan-1-yl)-8-methyl-2-phenyl-cinchoninic acid Formula: C23H24N2O2 MolecularWeight: 360.44886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C(=C(N=C12)C3=CC=CC=C3)N4CCCCCC4)C(=O)O

Isomeric SMILES

CC1=CC=CC2=C(C(=C(N=C12)C3=CC=CC=C3)N4CCCCCC4)C(=O)O

InChI

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