[(2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-yl] 2-(2-nitrooxyethoxy)ethanoate

Systemtic Name: [(2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-yl] 2-(2-nitrooxyethoxy)ethanoate Openeye Name: [(1S)-1-[(tert-butylamino)methyl]-2-(2-cyclopentylphenoxy)ethyl] 2-(2-nitrooxyethoxy)acetate CAS Name: 2-(2-nitrooxyethoxy)acetic acid [(2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-yl] ester IUPAC Name: [(2S)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-yl] 2-(2-nitrooxyethoxy)acetate Traditional Name: 2-(2-nitrooxyethoxy)acetic acid [(1S)-1-[(tert-butylamino)methyl]-2-(2-cyclopentylphenoxy)ethyl] ester Formula: C22H34N2O7 MolecularWeight: 438.51456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O7/c1-22(2,3)23-14-18(31-21(25)16-28-12-13-30-24(26)27)15-29-20-11-7-6-10-19(20)17-8-4-5-9-17/h6-7,10-11,17-18,23H,4-5,8-9,12-16H2,1-3H3/t18-/m0/s1