2-(1-adamantyl)ethyl 2-[2-[2-(tert-butylamino)-1-oxidanyl-ethyl]-1-benzofuran-7-yl]ethanoate

Systemtic Name: 2-(1-adamantyl)ethyl 2-[2-[2-(tert-butylamino)-1-oxidanyl-ethyl]-1-benzofuran-7-yl]ethanoate Openeye Name: 2-(1-adamantyl)ethyl 2-[2-[2-(tert-butylamino)-1-hydroxy-ethyl]benzofuran-7-yl]acetate CAS Name: 2-[2-[2-(tert-butylamino)-1-hydroxyethyl]-7-benzofuranyl]acetic acid 2-(1-adamantyl)ethyl ester IUPAC Name: 2-(1-adamantyl)ethyl 2-[2-[2-(tert-butylamino)-1-hydroxyethyl]-1-benzofuran-7-yl]acetate Traditional Name: 2-[2-[2-(tert-butylamino)-1-hydroxy-ethyl]benzofuran-7-yl]acetic acid 2-(1-adamantyl)ethyl ester Formula: C28H39NO4 MolecularWeight: 453.61356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(C1=CC2=C(O1)C(=CC=C2)CC(=O)OCCC34CC5CC(C3)CC(C5)C4)O

Isomeric SMILES

CC(C)(C)NCC(C1=CC2=C(O1)C(=CC=C2)CC(=O)OCCC34CC5CC(C3)CC(C5)C4)O

InChI

InChI=1S/C28H39NO4/c1-27(2,3)29-17-23(30)24-12-21-5-4-6-22(26(21)33-24)13-25(31)32-8-7-28-14-18-9-19(15-28)11-20(10-18)16-28/h4-6,12,18-20,23,29-30H,7-11,13-17H2,1-3H3