3-[[3,5-dimethyl-4-[2-(methylamino)quinolin-8-yl]oxy-phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[3,5-dimethyl-4-[2-(methylamino)quinolin-8-yl]oxy-phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[3,5-dimethyl-4-[[2-(methylamino)-8-quinolyl]oxy]benzoyl]amino]propanoic acid CAS Name: 3-[[[3,5-dimethyl-4-[[2-(methylamino)-8-quinolinyl]oxy]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[3,5-dimethyl-4-[2-(methylamino)quinolin-8-yl]oxybenzoyl]amino]propanoic acid Traditional Name: 3-[[3,5-dimethyl-4-[[2-(methylamino)-8-quinolyl]oxy]benzoyl]amino]propionic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC=CC3=C2N=C(C=C3)NC)C)C(=O)NCCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC=CC3=C2N=C(C=C3)NC)C)C(=O)NCCC(=O)O

InChI

InChI=1S/C22H23N3O4/c1-13-11-16(22(28)24-10-9-19(26)27)12-14(2)21(13)29-17-6-4-5-15-7-8-18(23-3)25-20(15)17/h4-8,11-12H,9-10H2,1-3H3,(H,23,25)(H,24,28)(H,26,27)