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

Systemtic Name: 3-(azepan-1-yl)-6-methyl-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-(azepan-1-yl)-6-methyl-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-(1-azepanyl)-6-methyl-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-(azepan-1-yl)-6-methyl-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-(azepan-1-yl)-6-methyl-2-phenyl-cinchoninic acid Formula: C23H24N2O2 MolecularWeight: 360.44886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(N=C2C=C1)C3=CC=CC=C3)N4CCCCCC4)C(=O)O

Isomeric SMILES

CC1=CC2=C(C(=C(N=C2C=C1)C3=CC=CC=C3)N4CCCCCC4)C(=O)O

InChI

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