3,5-dimethoxy-8-[2-(2-methylpropylamino)ethyl]phenanthrene-2,6-diol

Systemtic Name: 3,5-dimethoxy-8-[2-(2-methylpropylamino)ethyl]phenanthrene-2,6-diol Openeye Name: 8-[2-(isobutylamino)ethyl]-3,5-dimethoxy-phenanthrene-2,6-diol CAS Name: 3,5-dimethoxy-8-[2-(2-methylpropylamino)ethyl]phenanthrene-2,6-diol IUPAC Name: 3,5-dimethoxy-8-[2-(2-methylpropylamino)ethyl]phenanthrene-2,6-diol Traditional Name: 8-[2-(isobutylamino)ethyl]-3,5-dimethoxy-phenanthrene-2,6-diol Formula: C22H27NO4 MolecularWeight: 369.45408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNCCC1=CC(=C(C2=C1C=CC3=CC(=C(C=C32)OC)O)OC)O

Isomeric SMILES

CC(C)CNCCC1=CC(=C(C2=C1C=CC3=CC(=C(C=C32)OC)O)OC)O

InChI

InChI=1S/C22H27NO4/c1-13(2)12-23-8-7-15-10-19(25)22(27-4)21-16(15)6-5-14-9-18(24)20(26-3)11-17(14)21/h5-6,9-11,13,23-25H,7-8,12H2,1-4H3