7-chloranyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-2-carboxylic acid

Systemtic Name: 7-chloranyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-2-carboxylic acid Openeye Name: 4-(4-tert-butoxycarbonylpiperazin-1-yl)-7-chloro-quinoline-2-carboxylic acid CAS Name: 7-chloro-4-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-2-quinolinecarboxylic acid IUPAC Name: 7-chloro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]quinoline-2-carboxylic acid Traditional Name: 4-(4-tert-butoxycarbonylpiperazino)-7-chloro-quinaldic acid Formula: C19H22ClN3O4 MolecularWeight: 391.84868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=NC3=C2C=CC(=C3)Cl)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CC(=NC3=C2C=CC(=C3)Cl)C(=O)O

InChI

InChI=1S/C19H22ClN3O4/c1-19(2,3)27-18(26)23-8-6-22(7-9-23)16-11-15(17(24)25)21-14-10-12(20)4-5-13(14)16/h4-5,10-11H,6-9H2,1-3H3,(H,24,25)