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

Systemtic Name: 3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-oxidanylidene-1H-quinoline-4-carboxylic acid Openeye Name: 3-[[tert-butoxycarbonyl(methyl)amino]methyl]-2-oxo-1H-quinoline-4-carboxylic acid CAS Name: 3-[[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-oxo-1H-quinoline-4-carboxylic acid IUPAC Name: 3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-oxo-1H-quinoline-4-carboxylic acid Traditional Name: 3-[[tert-butoxycarbonyl(methyl)amino]methyl]-2-keto-1H-quinoline-4-carboxylic acid Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)CC1=C(C2=CC=CC=C2NC1=O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N(C)CC1=C(C2=CC=CC=C2NC1=O)C(=O)O

InChI

InChI=1S/C17H20N2O5/c1-17(2,3)24-16(23)19(4)9-11-13(15(21)22)10-7-5-6-8-12(10)18-14(11)20/h5-8H,9H2,1-4H3,(H,18,20)(H,21,22)