3-(2-chloranylquinolin-3-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-(2-chloranylquinolin-3-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-(tert-butoxycarbonylamino)-3-(2-chloro-3-quinolyl)propanoic acid CAS Name: 3-(2-chloro-3-quinolinyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(2-chloroquinolin-3-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-(tert-butoxycarbonylamino)-3-(2-chloro-3-quinolyl)propionic acid Formula: C17H19ClN2O4 MolecularWeight: 350.79676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC2=CC=CC=C2N=C1Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC2=CC=CC=C2N=C1Cl

InChI

InChI=1S/C17H19ClN2O4/c1-17(2,3)24-16(23)20-13(9-14(21)22)11-8-10-6-4-5-7-12(10)19-15(11)18/h4-8,13H,9H2,1-3H3,(H,20,23)(H,21,22)