8-[[(2-methylpropan-2-yl)oxycarbonyl-(pyridin-2-ylmethyl)amino]methyl]quinoline-5-carboxylic acid

Systemtic Name: 8-[[(2-methylpropan-2-yl)oxycarbonyl-(pyridin-2-ylmethyl)amino]methyl]quinoline-5-carboxylic acid Openeye Name: 8-[[tert-butoxycarbonyl(2-pyridylmethyl)amino]methyl]quinoline-5-carboxylic acid CAS Name: 8-[[[(2-methylpropan-2-yl)oxy-oxomethyl]-(2-pyridinylmethyl)amino]methyl]-5-quinolinecarboxylic acid IUPAC Name: 8-[[(2-methylpropan-2-yl)oxycarbonyl-(pyridin-2-ylmethyl)amino]methyl]quinoline-5-carboxylic acid Traditional Name: 8-[[tert-butoxycarbonyl(2-pyridylmethyl)amino]methyl]quinoline-5-carboxylic acid Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=C2C(=C(C=C1)C(=O)O)C=CC=N2)CC3=CC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=C2C(=C(C=C1)C(=O)O)C=CC=N2)CC3=CC=CC=N3

InChI

InChI=1S/C22H23N3O4/c1-22(2,3)29-21(28)25(14-16-7-4-5-11-23-16)13-15-9-10-18(20(26)27)17-8-6-12-24-19(15)17/h4-12H,13-14H2,1-3H3,(H,26,27)