4a-ethyl-3,9,9-trimethyl-7-[(2-methylpyridin-3-yl)methoxy]-2-pyridin-2-yl-1,4,10,10a-tetrahydrophenanthrene-2,3-diol

Systemtic Name: 4a-ethyl-3,9,9-trimethyl-7-[(2-methylpyridin-3-yl)methoxy]-2-pyridin-2-yl-1,4,10,10a-tetrahydrophenanthrene-2,3-diol Openeye Name: 4a-ethyl-3,9,9-trimethyl-7-[(2-methyl-3-pyridyl)methoxy]-2-(2-pyridyl)-1,4,10,10a-tetrahydrophenanthrene-2,3-diol CAS Name: 4a-ethyl-3,9,9-trimethyl-7-[(2-methyl-3-pyridinyl)methoxy]-2-(2-pyridinyl)-1,4,10,10a-tetrahydrophenanthrene-2,3-diol IUPAC Name: 4a-ethyl-3,9,9-trimethyl-7-[(2-methylpyridin-3-yl)methoxy]-2-pyridin-2-yl-1,4,10,10a-tetrahydrophenanthrene-2,3-diol Traditional Name: 4a-ethyl-3,9,9-trimethyl-7-[(2-methyl-3-pyridyl)methoxy]-2-(2-pyridyl)-1,4,10,10a-tetrahydrophenanthrene-2,3-diol Formula: C31H38N2O3 MolecularWeight: 486.64502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC12CC(C(CC1CC(C3=C2C=CC(=C3)OCC4=C(N=CC=C4)C)(C)C)(C5=CC=CC=N5)O)(C)O

Isomeric SMILES

CCC12CC(C(CC1CC(C3=C2C=CC(=C3)OCC4=C(N=CC=C4)C)(C)C)(C5=CC=CC=N5)O)(C)O

InChI

InChI=1S/C31H38N2O3/c1-6-30-20-29(5,34)31(35,27-11-7-8-14-33-27)18-23(30)17-28(3,4)26-16-24(12-13-25(26)30)36-19-22-10-9-15-32-21(22)2/h7-16,23,34-35H,6,17-20H2,1-5H3