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

Systemtic Name: 3-[[4-(2-azanylquinolin-8-yl)oxy-3,5-dimethyl-phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(2-amino-8-quinolyl)oxy]-3,5-dimethyl-benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(2-amino-8-quinolinyl)oxy]-3,5-dimethylphenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-(2-aminoquinolin-8-yl)oxy-3,5-dimethylbenzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(2-amino-8-quinolyl)oxy]-3,5-dimethyl-benzoyl]amino]propionic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-12-10-15(21(27)23-9-8-18(25)26)11-13(2)20(12)28-16-5-3-4-14-6-7-17(22)24-19(14)16/h3-7,10-11H,8-9H2,1-2H3,(H2,22,24)(H,23,27)(H,25,26)