4-[7-chloranyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]quinolin-4-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[7-chloranyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]quinolin-4-yl]piperazine-1-carboxylic acid Openeye Name: 4-[2-(tert-butoxycarbonylamino)-7-chloro-4-quinolyl]piperazine-1-carboxylic acid CAS Name: 4-[7-chloro-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-quinolinyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[7-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]quinolin-4-yl]piperazine-1-carboxylic acid Traditional Name: 4-[2-(tert-butoxycarbonylamino)-7-chloro-4-quinolyl]piperazine-1-carboxylic acid Formula: C19H23ClN4O4 MolecularWeight: 406.86332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC2=C(C=CC(=C2)Cl)C(=C1)N3CCN(CC3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC2=C(C=CC(=C2)Cl)C(=C1)N3CCN(CC3)C(=O)O

InChI

InChI=1S/C19H23ClN4O4/c1-19(2,3)28-17(25)22-16-11-15(13-5-4-12(20)10-14(13)21-16)23-6-8-24(9-7-23)18(26)27/h4-5,10-11H,6-9H2,1-3H3,(H,26,27)(H,21,22,25)