3-[[4-oxidanyl-3-phenoxy-5-(propan-2-ylamino)pentanoyl]amino]butyl nitrate

Systemtic Name: 3-[[4-oxidanyl-3-phenoxy-5-(propan-2-ylamino)pentanoyl]amino]butyl nitrate Openeye Name: 3-[[4-hydroxy-5-(isopropylamino)-3-phenoxy-pentanoyl]amino]butyl nitrate CAS Name: nitric acid 3-[[4-hydroxy-1-oxo-3-phenoxy-5-(propan-2-ylamino)pentyl]amino]butyl ester IUPAC Name: 3-[[4-hydroxy-3-phenoxy-5-(propan-2-ylamino)pentanoyl]amino]butyl nitrate Traditional Name: nitric acid 3-[[4-hydroxy-5-(isopropylamino)-3-phenoxy-pentanoyl]amino]butyl ester Formula: C18H29N3O6 MolecularWeight: 383.43936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O6/c1-13(2)19-12-16(22)17(27-15-7-5-4-6-8-15)11-18(23)20-14(3)9-10-26-21(24)25/h4-8,13-14,16-17,19,22H,9-12H2,1-3H3,(H,20,23)