3-[2-methyl-4-(4-methylpiperazin-1-yl)quinolin-3-yl]propanoic acid

Systemtic Name: 3-[2-methyl-4-(4-methylpiperazin-1-yl)quinolin-3-yl]propanoic acid Openeye Name: 3-[2-methyl-4-(4-methylpiperazin-1-yl)-3-quinolyl]propanoic acid CAS Name: 3-[2-methyl-4-(4-methyl-1-piperazinyl)-3-quinolinyl]propanoic acid IUPAC Name: 3-[2-methyl-4-(4-methylpiperazin-1-yl)quinolin-3-yl]propanoic acid Traditional Name: 3-[2-methyl-4-(4-methylpiperazino)-3-quinolyl]propionic acid Formula: C18H23N3O2 MolecularWeight: 313.39412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1CCC(=O)O)N3CCN(CC3)C

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1CCC(=O)O)N3CCN(CC3)C

InChI

InChI=1S/C18H23N3O2/c1-13-14(7-8-17(22)23)18(21-11-9-20(2)10-12-21)15-5-3-4-6-16(15)19-13/h3-6H,7-12H2,1-2H3,(H,22,23)