4-[[4-[3-fluoranyl-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]piperazin-1-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[4-[3-fluoranyl-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]piperazin-1-yl]carbonylamino]benzoic acid Openeye Name: 4-[[4-[3-fluoro-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-4-quinolyl]piperazine-1-carbonyl]amino]benzoic acid CAS Name: 4-[[[4-[3-fluoro-6-methoxy-7-[3-(1-pyrrolidinyl)propoxy]-4-quinolinyl]-1-piperazinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[4-[3-fluoro-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]piperazine-1-carbonyl]amino]benzoic acid Traditional Name: 4-[[4-[3-fluoro-6-methoxy-7-(3-pyrrolidinopropoxy)-4-quinolyl]piperazine-1-carbonyl]amino]benzoic acid Formula: C29H34FN5O5 MolecularWeight: 551.609163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)F)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)C(=O)O)OCCCN5CCCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)F)N3CCN(CC3)C(=O)NC4=CC=C(C=C4)C(=O)O)OCCCN5CCCC5

InChI

InChI=1S/C29H34FN5O5/c1-39-25-17-22-24(18-26(25)40-16-4-11-33-9-2-3-10-33)31-19-23(30)27(22)34-12-14-35(15-13-34)29(38)32-21-7-5-20(6-8-21)28(36)37/h5-8,17-19H,2-4,9-16H2,1H3,(H,32,38)(H,36,37)