tert-butyl 4-[2-(6-azanylhexoxy)-2-oxidanyl-ethanoyl]-2-ethyl-benzoate

Systemtic Name: tert-butyl 4-[2-(6-azanylhexoxy)-2-oxidanyl-ethanoyl]-2-ethyl-benzoate Openeye Name: tert-butyl 4-[2-(6-aminohexoxy)-2-hydroxy-acetyl]-2-ethyl-benzoate CAS Name: 4-[2-(6-aminohexoxy)-2-hydroxy-1-oxoethyl]-2-ethylbenzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(6-aminohexoxy)-2-hydroxyacetyl]-2-ethylbenzoate Traditional Name: 4-[2-(6-aminohexoxy)-2-hydroxy-acetyl]-2-ethyl-benzoic acid tert-butyl ester Formula: C21H33NO5 MolecularWeight: 379.49042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(=O)C(O)OCCCCCCN)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=C(C=CC(=C1)C(=O)C(O)OCCCCCCN)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H33NO5/c1-5-15-14-16(10-11-17(15)19(24)27-21(2,3)4)18(23)20(25)26-13-9-7-6-8-12-22/h10-11,14,20,25H,5-9,12-13,22H2,1-4H3