[(1R)-1-[(3aS,4S,6R,6aS)-4-heptoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(azepan-1-yl)ethyl] N-(4-nitrophenyl)carbamate hydrochloride

Systemtic Name: [(1R)-1-[(3aS,4S,6R,6aS)-4-heptoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(azepan-1-yl)ethyl] N-(4-nitrophenyl)carbamate hydrochloride Openeye Name: [(1R)-1-[(3aS,4S,6R,6aS)-4-heptoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(azepan-1-yl)ethyl] N-(4-nitrophenyl)carbamate hydrochloride CAS Name: N-(4-nitrophenyl)carbamic acid [(1R)-1-[(3aS,4S,6R,6aS)-4-heptoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(1-azepanyl)ethyl] ester hydrochloride IUPAC Name: [(1R)-1-[(3aS,4S,6R,6aS)-4-heptoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(azepan-1-yl)ethyl] N-(4-nitrophenyl)carbamate hydrochloride Traditional Name: N-(4-nitrophenyl)carbamic acid [(1R)-1-[(3aS,4S,6R,6aS)-4-heptoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-2-(azepan-1-yl)ethyl] ester hydrochloride Formula: C29H46ClN3O8 MolecularWeight: 600.14384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1C2C(C(O1)C(CN3CCCCCC3)OC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])OC(O2)(C)C.Cl

Isomeric SMILES

CCCCCCCO[C@@H]1[C@@H]2[C@H]([C@H](O1)[C@@H](CN3CCCCCC3)OC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])OC(O2)(C)C.Cl

InChI

InChI=1S/C29H45N3O8.ClH/c1-4-5-6-9-12-19-36-27-26-25(39-29(2,3)40-26)24(38-27)23(20-31-17-10-7-8-11-18-31)37-28(33)30-21-13-15-22(16-14-21)32(34)35;/h13-16,23-27H,4-12,17-20H2,1-3H3,(H,30,33);1H/t23-,24-,25+,26+,27+;/m1./s1