4a-ethyl-3-methyl-2-pyridin-2-yl-7-pyridin-4-yloxy-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol

Systemtic Name: 4a-ethyl-3-methyl-2-pyridin-2-yl-7-pyridin-4-yloxy-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol Openeye Name: 4a-ethyl-3-methyl-2-(2-pyridyl)-7-(4-pyridyloxy)-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol CAS Name: 4a-ethyl-3-methyl-2-(2-pyridinyl)-7-pyridin-4-yloxy-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol IUPAC Name: 4a-ethyl-3-methyl-2-pyridin-2-yl-7-pyridin-4-yloxy-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol Traditional Name: 4a-ethyl-3-methyl-2-(2-pyridyl)-7-(4-pyridyloxy)-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol Formula: C27H30N2O3 MolecularWeight: 430.5387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC12CC(C(CC1CCC3=C2C=CC(=C3)OC4=CC=NC=C4)(C5=CC=CC=N5)O)(C)O

Isomeric SMILES

CCC12CC(C(CC1CCC3=C2C=CC(=C3)OC4=CC=NC=C4)(C5=CC=CC=N5)O)(C)O

InChI

InChI=1S/C27H30N2O3/c1-3-26-18-25(2,30)27(31,24-6-4-5-13-29-24)17-20(26)8-7-19-16-22(9-10-23(19)26)32-21-11-14-28-15-12-21/h4-6,9-16,20,30-31H,3,7-8,17-18H2,1-2H3