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

Systemtic Name: 3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]-2-oxidanylidene-1H-quinoline-4-carboxylic acid Openeye Name: 3-[[2-(tert-butoxycarbonylamino)phenyl]methyl]-2-oxo-1H-quinoline-4-carboxylic acid CAS Name: 3-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]methyl]-2-oxo-1H-quinoline-4-carboxylic acid IUPAC Name: 3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]-2-oxo-1H-quinoline-4-carboxylic acid Traditional Name: 3-[2-(tert-butoxycarbonylamino)benzyl]-2-keto-1H-quinoline-4-carboxylic acid Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC=C1CC2=C(C3=CC=CC=C3NC2=O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC=C1CC2=C(C3=CC=CC=C3NC2=O)C(=O)O

InChI

InChI=1S/C22H22N2O5/c1-22(2,3)29-21(28)24-16-10-6-4-8-13(16)12-15-18(20(26)27)14-9-5-7-11-17(14)23-19(15)25/h4-11H,12H2,1-3H3,(H,23,25)(H,24,28)(H,26,27)