methyl 7-(5-azanyl-6-tert-butyl-2,2-dimethyl-3H-1-benzofuran-7-yl)-3,5-bis(oxidanyl)heptanoate

Systemtic Name: methyl 7-(5-azanyl-6-tert-butyl-2,2-dimethyl-3H-1-benzofuran-7-yl)-3,5-bis(oxidanyl)heptanoate Openeye Name: methyl 7-(5-amino-6-tert-butyl-2,2-dimethyl-3H-benzofuran-7-yl)-3,5-dihydroxy-heptanoate CAS Name: 7-(5-amino-6-tert-butyl-2,2-dimethyl-3H-benzofuran-7-yl)-3,5-dihydroxyheptanoic acid methyl ester IUPAC Name: methyl 7-(5-amino-6-tert-butyl-2,2-dimethyl-3H-1-benzofuran-7-yl)-3,5-dihydroxyheptanoate Traditional Name: 7-(5-amino-6-tert-butyl-2,2-dimethyl-coumaran-7-yl)-3,5-dihydroxy-enanthic acid methyl ester Formula: C22H35NO5 MolecularWeight: 393.517

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC(=C(C(=C2O1)CCC(CC(CC(=O)OC)O)O)C(C)(C)C)N)C

Isomeric SMILES

CC1(CC2=CC(=C(C(=C2O1)CCC(CC(CC(=O)OC)O)O)C(C)(C)C)N)C

InChI

InChI=1S/C22H35NO5/c1-21(2,3)19-16(8-7-14(24)10-15(25)11-18(26)27-6)20-13(9-17(19)23)12-22(4,5)28-20/h9,14-15,24-25H,7-8,10-12,23H2,1-6H3