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

Systemtic Name: [3-methyl-4-[[4-oxidanyl-3-phenoxy-5-(propan-2-ylamino)pentanoyl]amino]butyl] nitrate Openeye Name: [4-[[4-hydroxy-5-(isopropylamino)-3-phenoxy-pentanoyl]amino]-3-methyl-butyl] nitrate CAS Name: nitric acid [4-[[4-hydroxy-1-oxo-3-phenoxy-5-(propan-2-ylamino)pentyl]amino]-3-methylbutyl] ester IUPAC Name: [4-[[4-hydroxy-3-phenoxy-5-(propan-2-ylamino)pentanoyl]amino]-3-methylbutyl] nitrate Traditional Name: nitric acid [4-[[4-hydroxy-5-(isopropylamino)-3-phenoxy-pentanoyl]amino]-3-methyl-butyl] ester Formula: C19H31N3O6 MolecularWeight: 397.46594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O6/c1-14(2)20-13-17(23)18(28-16-7-5-4-6-8-16)11-19(24)21-12-15(3)9-10-27-22(25)26/h4-8,14-15,17-18,20,23H,9-13H2,1-3H3,(H,21,24)