6-methoxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxidanylidene-1H-quinoline-4-carboxylic acid

Systemtic Name: 6-methoxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxidanylidene-1H-quinoline-4-carboxylic acid Openeye Name: 3-[(tert-butoxycarbonylamino)methyl]-6-methoxy-2-oxo-1H-quinoline-4-carboxylic acid CAS Name: 6-methoxy-3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-oxo-1H-quinoline-4-carboxylic acid IUPAC Name: 6-methoxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxo-1H-quinoline-4-carboxylic acid Traditional Name: 3-[(tert-butoxycarbonylamino)methyl]-2-keto-6-methoxy-1H-quinoline-4-carboxylic acid Formula: C17H20N2O6 MolecularWeight: 348.3505

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=C(C2=C(C=CC(=C2)OC)NC1=O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=C(C2=C(C=CC(=C2)OC)NC1=O)C(=O)O

InChI

InChI=1S/C17H20N2O6/c1-17(2,3)25-16(23)18-8-11-13(15(21)22)10-7-9(24-4)5-6-12(10)19-14(11)20/h5-7H,8H2,1-4H3,(H,18,23)(H,19,20)(H,21,22)