tert-butyl 4-[4-[2-[(3-butylsulfanyl-2-methyl-propanoyl)oxymethyl]phenoxy]butyl]piperidine-4-carboxylate

Systemtic Name: tert-butyl 4-[4-[2-[(3-butylsulfanyl-2-methyl-propanoyl)oxymethyl]phenoxy]butyl]piperidine-4-carboxylate Openeye Name: tert-butyl 4-[4-[2-[(3-butylsulfanyl-2-methyl-propanoyl)oxymethyl]phenoxy]butyl]piperidine-4-carboxylate CAS Name: 4-[4-[2-[[3-(butylthio)-2-methyl-1-oxopropoxy]methyl]phenoxy]butyl]-4-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[2-[(3-butylsulfanyl-2-methylpropanoyl)oxymethyl]phenoxy]butyl]piperidine-4-carboxylate Traditional Name: 4-[4-[2-[[3-(butylthio)-2-methyl-propanoyl]oxymethyl]phenoxy]butyl]isonipecotic acid tert-butyl ester Formula: C29H47NO5S MolecularWeight: 521.75218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(C)C(=O)OCC1=CC=CC=C1OCCCCC2(CCNCC2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCSCC(C)C(=O)OCC1=CC=CC=C1OCCCCC2(CCNCC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H47NO5S/c1-6-7-20-36-22-23(2)26(31)34-21-24-12-8-9-13-25(24)33-19-11-10-14-29(15-17-30-18-16-29)27(32)35-28(3,4)5/h8-9,12-13,23,30H,6-7,10-11,14-22H2,1-5H3