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

Systemtic Name: [(3aS,5S,6R,6aS)-3a-(dodecoxymethyl)-2,2-dimethyl-5-(3-pyrrolidin-1-ylpropyl)-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-yl] N-(4-nitrophenyl)carbamate Openeye Name: [(3aS,5S,6R,6aS)-3a-(dodecoxymethyl)-2,2-dimethyl-5-(3-pyrrolidin-1-ylpropyl)-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-yl] N-(4-nitrophenyl)carbamate CAS Name: N-(4-nitrophenyl)carbamic acid [(3aS,5S,6R,6aS)-3a-(dodecoxymethyl)-2,2-dimethyl-5-[3-(1-pyrrolidinyl)propyl]-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-yl] ester IUPAC Name: [(3aS,5S,6R,6aS)-3a-(dodecoxymethyl)-2,2-dimethyl-5-(3-pyrrolidin-1-ylpropyl)-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-yl] N-(4-nitrophenyl)carbamate Traditional Name: N-(4-nitrophenyl)carbamic acid [(3aS,5S,6R,6aS)-3a-(lauryloxymethyl)-2,2-dimethyl-5-(3-pyrrolidinopropyl)-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-yl] ester Formula: C34H55N3O8 MolecularWeight: 633.8158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCC12C(C(C(O1)CCCN3CCCC3)OC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])OC(O2)(C)C

Isomeric SMILES

CCCCCCCCCCCCOC[C@]12[C@H]([C@@H]([C@@H](O1)CCCN3CCCC3)OC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])OC(O2)(C)C

InChI

InChI=1S/C34H55N3O8/c1-4-5-6-7-8-9-10-11-12-15-25-41-26-34-31(44-33(2,3)45-34)30(29(43-34)17-16-24-36-22-13-14-23-36)42-32(38)35-27-18-20-28(21-19-27)37(39)40/h18-21,29-31H,4-17,22-26H2,1-3H3,(H,35,38)/t29-,30+,31-,34-/m0/s1