5-chloranyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]carbonylamino]benzoic acid

Systemtic Name: 5-chloranyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]carbonylamino]benzoic acid Openeye Name: 2-[(4-tert-butoxycarbonylpiperazine-1-carbonyl)amino]-5-chloro-benzoic acid CAS Name: 5-chloro-2-[[[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 5-chloro-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]amino]benzoic acid Traditional Name: 2-[(4-tert-butoxycarbonylpiperazine-1-carbonyl)amino]-5-chloro-benzoic acid Formula: C17H22ClN3O5 MolecularWeight: 383.82668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)NC2=C(C=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C17H22ClN3O5/c1-17(2,3)26-16(25)21-8-6-20(7-9-21)15(24)19-13-5-4-11(18)10-12(13)14(22)23/h4-5,10H,6-9H2,1-3H3,(H,19,24)(H,22,23)