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

Systemtic Name: [(3aS,5S,6R,6aS)-5-(azepan-1-ylmethyl)-3a-(dodecoxymethyl)-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-yl] N-(4-methoxyphenyl)carbamate Openeye Name: [(3aS,5S,6R,6aS)-5-(azepan-1-ylmethyl)-3a-(dodecoxymethyl)-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-yl] N-(4-methoxyphenyl)carbamate CAS Name: N-(4-methoxyphenyl)carbamic acid [(3aS,5S,6R,6aS)-5-(1-azepanylmethyl)-3a-(dodecoxymethyl)-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-yl] ester IUPAC Name: [(3aS,5S,6R,6aS)-5-(azepan-1-ylmethyl)-3a-(dodecoxymethyl)-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-yl] N-(4-methoxyphenyl)carbamate Traditional Name: N-(4-methoxyphenyl)carbamic acid [(3aS,5S,6R,6aS)-5-(azepan-1-ylmethyl)-3a-(lauryloxymethyl)-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-yl] ester Formula: C35H58N2O7 MolecularWeight: 618.84422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCC12C(C(C(O1)CN3CCCCCC3)OC(=O)NC4=CC=C(C=C4)OC)OC(O2)(C)C

Isomeric SMILES

CCCCCCCCCCCCOC[C@]12[C@H]([C@@H]([C@@H](O1)CN3CCCCCC3)OC(=O)NC4=CC=C(C=C4)OC)OC(O2)(C)C

InChI

InChI=1S/C35H58N2O7/c1-5-6-7-8-9-10-11-12-15-18-25-40-27-35-32(43-34(2,3)44-35)31(30(42-35)26-37-23-16-13-14-17-24-37)41-33(38)36-28-19-21-29(39-4)22-20-28/h19-22,30-32H,5-18,23-27H2,1-4H3,(H,36,38)/t30-,31+,32-,35-/m0/s1