2-azanyl-3-[6,7-dimethoxy-3-(3-phosphonopentan-3-yl)quinolin-2-yl]propanoic acid

Systemtic Name: 2-azanyl-3-[6,7-dimethoxy-3-(3-phosphonopentan-3-yl)quinolin-2-yl]propanoic acid Openeye Name: 2-amino-3-[3-(1-ethyl-1-phosphono-propyl)-6,7-dimethoxy-2-quinolyl]propanoic acid CAS Name: 2-amino-3-[6,7-dimethoxy-3-(3-phosphonopentan-3-yl)-2-quinolinyl]propanoic acid IUPAC Name: 2-amino-3-[6,7-dimethoxy-3-(3-phosphonopentan-3-yl)quinolin-2-yl]propanoic acid Traditional Name: 2-amino-3-[3-(1-ethyl-1-phosphono-propyl)-6,7-dimethoxy-2-quinolyl]propionic acid Formula: C19H27N2O7P MolecularWeight: 426.400641

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=C(N=C2C=C(C(=CC2=C1)OC)OC)CC(C(=O)O)N)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=C(N=C2C=C(C(=CC2=C1)OC)OC)CC(C(=O)O)N)P(=O)(O)O

InChI

InChI=1S/C19H27N2O7P/c1-5-19(6-2,29(24,25)26)12-7-11-8-16(27-3)17(28-4)10-14(11)21-15(12)9-13(20)18(22)23/h7-8,10,13H,5-6,9,20H2,1-4H3,(H,22,23)(H2,24,25,26)