4-[3-fluoranyl-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[3-fluoranyl-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]piperazine-1-carboxylic acid Openeye Name: 4-[3-fluoro-6-methoxy-7-(3-morpholinopropoxy)-4-quinolyl]piperazine-1-carboxylic acid CAS Name: 4-[3-fluoro-6-methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinolinyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[3-fluoro-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]piperazine-1-carboxylic acid Traditional Name: 4-[3-fluoro-6-methoxy-7-(3-morpholinopropoxy)-4-quinolyl]piperazine-1-carboxylic acid Formula: C22H29FN4O5 MolecularWeight: 448.487863

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)F)N3CCN(CC3)C(=O)O)OCCCN4CCOCC4

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)F)N3CCN(CC3)C(=O)O)OCCCN4CCOCC4

InChI

InChI=1S/C22H29FN4O5/c1-30-19-13-16-18(14-20(19)32-10-2-3-25-8-11-31-12-9-25)24-15-17(23)21(16)26-4-6-27(7-5-26)22(28)29/h13-15H,2-12H2,1H3,(H,28,29)