4-[3-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]hexyl]piperidine-1-carboxylic acid

Systemtic Name: 4-[3-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]hexyl]piperidine-1-carboxylic acid Openeye Name: 4-[2-tert-butoxycarbonyl-3-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-hexyl]piperidine-1-carboxylic acid CAS Name: 4-[3-[(4-methoxyphenyl)methylthio]-5-methyl-2-[(2-methylpropan-2-yl)oxy-oxomethyl]hexyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[3-[(4-methoxyphenyl)methylsulfanyl]-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]hexyl]piperidine-1-carboxylic acid Traditional Name: 4-[2-tert-butoxycarbonyl-5-methyl-3-(p-anisylthio)hexyl]piperidine-1-carboxylic acid Formula: C26H41NO5S MolecularWeight: 479.67244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC1CCN(CC1)C(=O)O)C(=O)OC(C)(C)C)SCC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CC(C(CC1CCN(CC1)C(=O)O)C(=O)OC(C)(C)C)SCC2=CC=C(C=C2)OC

InChI

InChI=1S/C26H41NO5S/c1-18(2)15-23(33-17-20-7-9-21(31-6)10-8-20)22(24(28)32-26(3,4)5)16-19-11-13-27(14-12-19)25(29)30/h7-10,18-19,22-23H,11-17H2,1-6H3,(H,29,30)