[1-(3-azanyl-6,6-dimethyl-4-oxidanyl-3-phenoxy-oct-7-ynoyl)piperidin-4-yl] nitrate

Systemtic Name: [1-(3-azanyl-6,6-dimethyl-4-oxidanyl-3-phenoxy-oct-7-ynoyl)piperidin-4-yl] nitrate Openeye Name: [1-(3-amino-4-hydroxy-6,6-dimethyl-3-phenoxy-oct-7-ynoyl)-4-piperidyl] nitrate CAS Name: nitric acid [1-(3-amino-4-hydroxy-6,6-dimethyl-1-oxo-3-phenoxyoct-7-ynyl)-4-piperidinyl] ester IUPAC Name: [1-(3-amino-4-hydroxy-6,6-dimethyl-3-phenoxyoct-7-ynoyl)piperidin-4-yl] nitrate Traditional Name: nitric acid [1-(3-amino-4-hydroxy-6,6-dimethyl-3-phenoxy-oct-7-ynoyl)-4-piperidyl] ester Formula: C21H29N3O6 MolecularWeight: 419.47146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C(CC(=O)N1CCC(CC1)O[N+](=O)[O-])(N)OC2=CC=CC=C2)O)C#C

Isomeric SMILES

CC(C)(CC(C(CC(=O)N1CCC(CC1)O[N+](=O)[O-])(N)OC2=CC=CC=C2)O)C#C

InChI

InChI=1S/C21H29N3O6/c1-4-20(2,3)14-18(25)21(22,29-16-8-6-5-7-9-16)15-19(26)23-12-10-17(11-13-23)30-24(27)28/h1,5-9,17-18,25H,10-15,22H2,2-3H3