tert-butyl 2-(1-adamantylmethoxycarbonylamino)-3-[5-(3-methoxy-3-oxidanylidene-propyl)-1-benzofuran-2-yl]propanoate

Systemtic Name: tert-butyl 2-(1-adamantylmethoxycarbonylamino)-3-[5-(3-methoxy-3-oxidanylidene-propyl)-1-benzofuran-2-yl]propanoate Openeye Name: tert-butyl 2-(1-adamantylmethoxycarbonylamino)-3-[5-(3-methoxy-3-oxo-propyl)benzofuran-2-yl]propanoate CAS Name: 2-[[1-adamantylmethoxy(oxo)methyl]amino]-3-[5-(3-methoxy-3-oxopropyl)-2-benzofuranyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(1-adamantylmethoxycarbonylamino)-3-[5-(3-methoxy-3-oxopropyl)-1-benzofuran-2-yl]propanoate Traditional Name: 2-(1-adamantylmethoxycarbonylamino)-3-[5-(3-keto-3-methoxy-propyl)benzofuran-2-yl]propionic acid tert-butyl ester Formula: C31H41NO7 MolecularWeight: 539.65974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC2=C(O1)C=CC(=C2)CCC(=O)OC)NC(=O)OCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CC2=C(O1)C=CC(=C2)CCC(=O)OC)NC(=O)OCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C31H41NO7/c1-30(2,3)39-28(34)25(14-24-13-23-12-19(5-7-26(23)38-24)6-8-27(33)36-4)32-29(35)37-18-31-15-20-9-21(16-31)11-22(10-20)17-31/h5,7,12-13,20-22,25H,6,8-11,14-18H2,1-4H3,(H,32,35)