[1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-yl] 4-nitrooxybutanoate

Systemtic Name: [1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-yl] 4-nitrooxybutanoate Openeye Name: [1-[[4-(2-isopropoxyethoxymethyl)phenoxy]methyl]-2-(isopropylamino)ethyl] 4-nitrooxybutanoate CAS Name: 4-nitrooxybutanoic acid [1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-yl] ester IUPAC Name: [1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-yl] 4-nitrooxybutanoate Traditional Name: 4-nitrooxybutyric acid [1-[[4-(2-isopropoxyethoxymethyl)phenoxy]methyl]-2-(isopropylamino)ethyl] ester Formula: C22H36N2O8 MolecularWeight: 456.52984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)OC(=O)CCCO[N+](=O)[O-]

Isomeric SMILES

CC(C)NCC(COC1=CC=C(C=C1)COCCOC(C)C)OC(=O)CCCO[N+](=O)[O-]

InChI

InChI=1S/C22H36N2O8/c1-17(2)23-14-21(32-22(25)6-5-11-31-24(26)27)16-30-20-9-7-19(8-10-20)15-28-12-13-29-18(3)4/h7-10,17-18,21,23H,5-6,11-16H2,1-4H3