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

Systemtic Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylsulfanyl-piperidine-4-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-phenylsulfanyl-piperidine-4-carboxylic acid CAS Name: 1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-(phenylthio)-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylsulfanylpiperidine-4-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-(phenylthio)isonipecotic acid Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)SC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)SC2=CC=CC=C2

InChI

InChI=1S/C17H23NO4S/c1-16(2,3)22-15(21)18-11-9-17(10-12-18,14(19)20)23-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,19,20)