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

Systemtic Name: 2-chloranyl-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid Openeye Name: 5-(4-tert-butoxycarbonylpiperazin-1-yl)-2-chloro-benzoic acid CAS Name: 2-chloro-5-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]benzoic acid IUPAC Name: 2-chloro-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid Traditional Name: 5-(4-tert-butoxycarbonylpiperazino)-2-chloro-benzoic acid Formula: C16H21ClN2O4 MolecularWeight: 340.80194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN2O4/c1-16(2,3)23-15(22)19-8-6-18(7-9-19)11-4-5-13(17)12(10-11)14(20)21/h4-5,10H,6-9H2,1-3H3,(H,20,21)