4a-ethyl-2-phenyl-7-(pyridin-3-ylmethoxy)-1,3,4,9,10,10a-hexahydrophenanthrene-2,3-diol

Systemtic Name: 4a-ethyl-2-phenyl-7-(pyridin-3-ylmethoxy)-1,3,4,9,10,10a-hexahydrophenanthrene-2,3-diol Openeye Name: 4a-ethyl-2-phenyl-7-(3-pyridylmethoxy)-1,3,4,9,10,10a-hexahydrophenanthrene-2,3-diol CAS Name: 4a-ethyl-2-phenyl-7-(3-pyridinylmethoxy)-1,3,4,9,10,10a-hexahydrophenanthrene-2,3-diol IUPAC Name: 4a-ethyl-2-phenyl-7-(pyridin-3-ylmethoxy)-1,3,4,9,10,10a-hexahydrophenanthrene-2,3-diol Traditional Name: 4a-ethyl-2-phenyl-7-(3-pyridylmethoxy)-1,3,4,9,10,10a-hexahydrophenanthrene-2,3-diol Formula: C28H31NO3 MolecularWeight: 429.55064

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CC(C(CC1CCC3=C2C=CC(=C3)OCC4=CN=CC=C4)(C5=CC=CC=C5)O)O

Isomeric SMILES

CCC12CC(C(CC1CCC3=C2C=CC(=C3)OCC4=CN=CC=C4)(C5=CC=CC=C5)O)O

InChI

InChI=1S/C28H31NO3/c1-2-27-17-26(30)28(31,22-8-4-3-5-9-22)16-23(27)11-10-21-15-24(12-13-25(21)27)32-19-20-7-6-14-29-18-20/h3-9,12-15,18,23,26,30-31H,2,10-11,16-17,19H2,1H3