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

Systemtic Name: 4-[3-fluoranyl-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]piperazine-1-carboxylic acid Openeye Name: 4-[3-fluoro-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-4-quinolyl]piperazine-1-carboxylic acid CAS Name: 4-[3-fluoro-6-methoxy-7-[3-(1-pyrrolidinyl)propoxy]-4-quinolinyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[3-fluoro-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]piperazine-1-carboxylic acid Traditional Name: 4-[3-fluoro-6-methoxy-7-(3-pyrrolidinopropoxy)-4-quinolyl]piperazine-1-carboxylic acid Formula: C22H29FN4O4 MolecularWeight: 432.488463

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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)OCCCN4CCCC4

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)F)N3CCN(CC3)C(=O)O)OCCCN4CCCC4

InChI

InChI=1S/C22H29FN4O4/c1-30-19-13-16-18(14-20(19)31-12-4-7-25-5-2-3-6-25)24-15-17(23)21(16)26-8-10-27(11-9-26)22(28)29/h13-15H,2-12H2,1H3,(H,28,29)