4-[(4-methoxyphenyl)methylsulfanyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)methylsulfanyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-[(4-methoxyphenyl)methylsulfanyl]piperidine-4-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)methylthio]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 4-[(4-methoxyphenyl)methylsulfanyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-(p-anisylthio)isonipecotic acid Formula: C19H27NO5S MolecularWeight: 381.48638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)SCC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)SCC2=CC=C(C=C2)OC

InChI

InChI=1S/C19H27NO5S/c1-18(2,3)25-17(23)20-11-9-19(10-12-20,16(21)22)26-13-14-5-7-15(24-4)8-6-14/h5-8H,9-13H2,1-4H3,(H,21,22)