tert-butyl N-[1,3-bis(oxidanyl)-3-(4-phenylmethoxyphenyl)heptan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1,3-bis(oxidanyl)-3-(4-phenylmethoxyphenyl)heptan-2-yl]carbamate Openeye Name: tert-butyl N-[2-(4-benzyloxyphenyl)-2-hydroxy-1-(hydroxymethyl)hexyl]carbamate CAS Name: N-[1,3-dihydroxy-3-(4-phenylmethoxyphenyl)heptan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1,3-dihydroxy-3-(4-phenylmethoxyphenyl)heptan-2-yl]carbamate Traditional Name: N-[2-(4-benzoxyphenyl)-2-hydroxy-1-methylol-hexyl]carbamic acid tert-butyl ester Formula: C25H35NO5 MolecularWeight: 429.5491

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=C(C=C1)OCC2=CC=CC=C2)(C(CO)NC(=O)OC(C)(C)C)O

Isomeric SMILES

CCCCC(C1=CC=C(C=C1)OCC2=CC=CC=C2)(C(CO)NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C25H35NO5/c1-5-6-16-25(29,22(17-27)26-23(28)31-24(2,3)4)20-12-14-21(15-13-20)30-18-19-10-8-7-9-11-19/h7-15,22,27,29H,5-6,16-18H2,1-4H3,(H,26,28)