[(2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-yl] 4-nitrooxybutanoate

Systemtic Name: [(2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-yl] 4-nitrooxybutanoate Openeye Name: [(1S)-1-[(tert-butylamino)methyl]-2-(2-cyclopentylphenoxy)ethyl] 4-nitrooxybutanoate CAS Name: 4-nitrooxybutanoic acid [(2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-yl] ester IUPAC Name: [(2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-yl] 4-nitrooxybutanoate Traditional Name: 4-nitrooxybutyric acid [(1S)-1-[(tert-butylamino)methyl]-2-(2-cyclopentylphenoxy)ethyl] ester Formula: C22H34N2O6 MolecularWeight: 422.51516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=CC=C1C2CCCC2)OC(=O)CCCO[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC[C@@H](COC1=CC=CC=C1C2CCCC2)OC(=O)CCCO[N+](=O)[O-]

InChI

InChI=1S/C22H34N2O6/c1-22(2,3)23-15-18(30-21(25)13-8-14-29-24(26)27)16-28-20-12-7-6-11-19(20)17-9-4-5-10-17/h6-7,11-12,17-18,23H,4-5,8-10,13-16H2,1-3H3/t18-/m0/s1