3-[[5-(tert-butylamino)-4-oxidanyl-3-phenoxy-pentanoyl]amino]butyl nitrate

Systemtic Name: 3-[[5-(tert-butylamino)-4-oxidanyl-3-phenoxy-pentanoyl]amino]butyl nitrate Openeye Name: 3-[[5-(tert-butylamino)-4-hydroxy-3-phenoxy-pentanoyl]amino]butyl nitrate CAS Name: nitric acid 3-[[5-(tert-butylamino)-4-hydroxy-1-oxo-3-phenoxypentyl]amino]butyl ester IUPAC Name: 3-[[5-(tert-butylamino)-4-hydroxy-3-phenoxypentanoyl]amino]butyl nitrate Traditional Name: nitric acid 3-[[5-(tert-butylamino)-4-hydroxy-3-phenoxy-pentanoyl]amino]butyl ester Formula: C19H31N3O6 MolecularWeight: 397.46594

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCO[N+](=O)[O-])NC(=O)CC(C(CNC(C)(C)C)O)OC1=CC=CC=C1

Isomeric SMILES

CC(CCO[N+](=O)[O-])NC(=O)CC(C(CNC(C)(C)C)O)OC1=CC=CC=C1

InChI

InChI=1S/C19H31N3O6/c1-14(10-11-27-22(25)26)21-18(24)12-17(16(23)13-20-19(2,3)4)28-15-8-6-5-7-9-15/h5-9,14,16-17,20,23H,10-13H2,1-4H3,(H,21,24)