[3,5-dimethyl-7-(phenylmethoxycarbonylamino)-1-adamantyl] 4-nitrooxybutanoate

Systemtic Name: [3,5-dimethyl-7-(phenylmethoxycarbonylamino)-1-adamantyl] 4-nitrooxybutanoate Openeye Name: [3-(benzyloxycarbonylamino)-5,7-dimethyl-1-adamantyl] 4-nitrooxybutanoate CAS Name: 4-nitrooxybutanoic acid [3,5-dimethyl-7-(phenylmethoxycarbonylamino)-1-adamantyl] ester IUPAC Name: [3,5-dimethyl-7-(phenylmethoxycarbonylamino)-1-adamantyl] 4-nitrooxybutanoate Traditional Name: 4-nitrooxybutyric acid [3-(benzyloxycarbonylamino)-5,7-dimethyl-1-adamantyl] ester Formula: C24H32N2O7 MolecularWeight: 460.52008

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3(CC(C1)(CC(C2)(C3)OC(=O)CCCO[N+](=O)[O-])NC(=O)OCC4=CC=CC=C4)C

Isomeric SMILES

CC12CC3(CC(C1)(CC(C2)(C3)OC(=O)CCCO[N+](=O)[O-])NC(=O)OCC4=CC=CC=C4)C

InChI

InChI=1S/C24H32N2O7/c1-21-12-22(2)14-23(13-21,25-20(28)31-11-18-7-4-3-5-8-18)17-24(15-21,16-22)33-19(27)9-6-10-32-26(29)30/h3-5,7-8H,6,9-17H2,1-2H3,(H,25,28)