2-(3-morpholin-4-ylbutylamino)quinoline-4-carboxylic acid

Systemtic Name: 2-(3-morpholin-4-ylbutylamino)quinoline-4-carboxylic acid Openeye Name: 2-(3-morpholinobutylamino)quinoline-4-carboxylic acid CAS Name: 2-[3-(4-morpholinyl)butylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-(3-morpholin-4-ylbutylamino)quinoline-4-carboxylic acid Traditional Name: 2-(3-morpholinobutylamino)cinchoninic acid Formula: C18H23N3O3 MolecularWeight: 329.39352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC1=NC2=CC=CC=C2C(=C1)C(=O)O)N3CCOCC3

Isomeric SMILES

CC(CCNC1=NC2=CC=CC=C2C(=C1)C(=O)O)N3CCOCC3

InChI

InChI=1S/C18H23N3O3/c1-13(21-8-10-24-11-9-21)6-7-19-17-12-15(18(22)23)14-4-2-3-5-16(14)20-17/h2-5,12-13H,6-11H2,1H3,(H,19,20)(H,22,23)