1-[[5-(tert-butylamino)-4-oxidanyl-3-phenoxy-pentanoyl]amino]propan-2-yl nitrate

Systemtic Name: 1-[[5-(tert-butylamino)-4-oxidanyl-3-phenoxy-pentanoyl]amino]propan-2-yl nitrate Openeye Name: [2-[[5-(tert-butylamino)-4-hydroxy-3-phenoxy-pentanoyl]amino]-1-methyl-ethyl] nitrate CAS Name: nitric acid 1-[[5-(tert-butylamino)-4-hydroxy-1-oxo-3-phenoxypentyl]amino]propan-2-yl ester IUPAC Name: 1-[[5-(tert-butylamino)-4-hydroxy-3-phenoxypentanoyl]amino]propan-2-yl nitrate Traditional Name: nitric acid [2-[[5-(tert-butylamino)-4-hydroxy-3-phenoxy-pentanoyl]amino]-1-methyl-ethyl] ester Formula: C18H29N3O6 MolecularWeight: 383.43936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O6/c1-13(27-21(24)25)11-19-17(23)10-16(15(22)12-20-18(2,3)4)26-14-8-6-5-7-9-14/h5-9,13,15-16,20,22H,10-12H2,1-4H3,(H,19,23)