3-(2-chloranyl-6-methoxy-quinolin-3-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-(2-chloranyl-6-methoxy-quinolin-3-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 3-(tert-butoxycarbonylamino)-3-(2-chloro-6-methoxy-3-quinolyl)propanoic acid CAS Name: 3-(2-chloro-6-methoxy-3-quinolinyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(2-chloro-6-methoxyquinolin-3-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-(tert-butoxycarbonylamino)-3-(2-chloro-6-methoxy-3-quinolyl)propionic acid Formula: C18H21ClN2O5 MolecularWeight: 380.82274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)O)C1=C(N=C2C=CC(=CC2=C1)OC)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC(=O)O)C1=C(N=C2C=CC(=CC2=C1)OC)Cl

InChI

InChI=1S/C18H21ClN2O5/c1-18(2,3)26-17(24)21-14(9-15(22)23)12-8-10-7-11(25-4)5-6-13(10)20-16(12)19/h5-8,14H,9H2,1-4H3,(H,21,24)(H,22,23)