4-[[4-(7-nitro-1,3-benzodioxol-5-yl)butan-2-ylamino]methyl]-2,2-di(propan-2-yl)-3,4-dihydrochromen-7-ol

Systemtic Name: 4-[[4-(7-nitro-1,3-benzodioxol-5-yl)butan-2-ylamino]methyl]-2,2-di(propan-2-yl)-3,4-dihydrochromen-7-ol Openeye Name: 2,2-diisopropyl-4-[[[1-methyl-3-(7-nitro-1,3-benzodioxol-5-yl)propyl]amino]methyl]chroman-7-ol CAS Name: 4-[[4-(7-nitro-1,3-benzodioxol-5-yl)butan-2-ylamino]methyl]-2,2-di(propan-2-yl)-3,4-dihydro-2H-1-benzopyran-7-ol IUPAC Name: 4-[[4-(7-nitro-1,3-benzodioxol-5-yl)butan-2-ylamino]methyl]-2,2-di(propan-2-yl)-3,4-dihydrochromen-7-ol Traditional Name: 2,2-diisopropyl-4-[[[1-methyl-3-(7-nitro-1,3-benzodioxol-5-yl)propyl]amino]methyl]chroman-7-ol Formula: C27H36N2O6 MolecularWeight: 484.58454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CC(C2=C(O1)C=C(C=C2)O)CNC(C)CCC3=CC(=C4C(=C3)OCO4)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC(C)C1(CC(C2=C(O1)C=C(C=C2)O)CNC(C)CCC3=CC(=C4C(=C3)OCO4)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C27H36N2O6/c1-16(2)27(17(3)4)13-20(22-9-8-21(30)12-24(22)35-27)14-28-18(5)6-7-19-10-23(29(31)32)26-25(11-19)33-15-34-26/h8-12,16-18,20,28,30H,6-7,13-15H2,1-5H3