2-[(8-fluoranylquinolin-2-yl)methoxycarbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(8-fluoranylquinolin-2-yl)methoxycarbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(8-fluoro-2-quinolyl)methoxycarbonylamino]-3-methyl-butanoic acid CAS Name: 2-[[(8-fluoro-2-quinolinyl)methoxy-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(8-fluoroquinolin-2-yl)methoxycarbonylamino]-3-methylbutanoic acid Traditional Name: 2-[(8-fluoro-2-quinolyl)methoxycarbonylamino]-3-methyl-butyric acid Formula: C16H17FN2O4 MolecularWeight: 320.315583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)OCC1=NC2=C(C=CC=C2F)C=C1

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)OCC1=NC2=C(C=CC=C2F)C=C1

InChI

InChI=1S/C16H17FN2O4/c1-9(2)13(15(20)21)19-16(22)23-8-11-7-6-10-4-3-5-12(17)14(10)18-11/h3-7,9,13H,8H2,1-2H3,(H,19,22)(H,20,21)