[(3aS,5S,6R,6aS)-3a-(heptoxymethyl)-2,2-dimethyl-5-(piperidin-1-ylmethyl)-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-yl] N-(4-chlorophenyl)carbamate

Systemtic Name: [(3aS,5S,6R,6aS)-3a-(heptoxymethyl)-2,2-dimethyl-5-(piperidin-1-ylmethyl)-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-yl] N-(4-chlorophenyl)carbamate Openeye Name: [(3aS,5S,6R,6aS)-3a-(heptoxymethyl)-2,2-dimethyl-5-(1-piperidylmethyl)-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-yl] N-(4-chlorophenyl)carbamate CAS Name: N-(4-chlorophenyl)carbamic acid [(3aS,5S,6R,6aS)-3a-(heptoxymethyl)-2,2-dimethyl-5-(1-piperidinylmethyl)-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-yl] ester IUPAC Name: [(3aS,5S,6R,6aS)-3a-(heptoxymethyl)-2,2-dimethyl-5-(piperidin-1-ylmethyl)-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-yl] N-(4-chlorophenyl)carbamate Traditional Name: N-(4-chlorophenyl)carbamic acid [(3aS,5S,6R,6aS)-3a-(heptoxymethyl)-2,2-dimethyl-5-(piperidinomethyl)-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-yl] ester Formula: C28H43ClN2O6 MolecularWeight: 539.10382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOCC12C(C(C(O1)CN3CCCCC3)OC(=O)NC4=CC=C(C=C4)Cl)OC(O2)(C)C

Isomeric SMILES

CCCCCCCOC[C@]12[C@H]([C@@H]([C@@H](O1)CN3CCCCC3)OC(=O)NC4=CC=C(C=C4)Cl)OC(O2)(C)C

InChI

InChI=1S/C28H43ClN2O6/c1-4-5-6-7-11-18-33-20-28-25(36-27(2,3)37-28)24(23(35-28)19-31-16-9-8-10-17-31)34-26(32)30-22-14-12-21(29)13-15-22/h12-15,23-25H,4-11,16-20H2,1-3H3,(H,30,32)/t23-,24+,25-,28-/m0/s1