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

Systemtic Name: 3-[3-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]propyl]-2-oxidanylidene-1H-quinoline-4-carboxylic acid Openeye Name: 3-[3-[benzyl(tert-butoxycarbonyl)amino]propyl]-2-oxo-1H-quinoline-4-carboxylic acid CAS Name: 3-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)amino]propyl]-2-oxo-1H-quinoline-4-carboxylic acid IUPAC Name: 3-[3-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-2-oxo-1H-quinoline-4-carboxylic acid Traditional Name: 3-[3-[benzyl(tert-butoxycarbonyl)amino]propyl]-2-keto-1H-quinoline-4-carboxylic acid Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCC1=C(C2=CC=CC=C2NC1=O)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCC1=C(C2=CC=CC=C2NC1=O)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C25H28N2O5/c1-25(2,3)32-24(31)27(16-17-10-5-4-6-11-17)15-9-13-19-21(23(29)30)18-12-7-8-14-20(18)26-22(19)28/h4-8,10-12,14H,9,13,15-16H2,1-3H3,(H,26,28)(H,29,30)