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

Systemtic Name: 4a-ethyl-2-prop-1-ynyl-7-(pyridin-2-ylmethoxy)-1,3,4,9,10,10a-hexahydrophenanthrene-2,3-diol Openeye Name: 4a-ethyl-2-prop-1-ynyl-7-(2-pyridylmethoxy)-1,3,4,9,10,10a-hexahydrophenanthrene-2,3-diol CAS Name: 4a-ethyl-2-prop-1-ynyl-7-(2-pyridinylmethoxy)-1,3,4,9,10,10a-hexahydrophenanthrene-2,3-diol IUPAC Name: 4a-ethyl-2-prop-1-ynyl-7-(pyridin-2-ylmethoxy)-1,3,4,9,10,10a-hexahydrophenanthrene-2,3-diol Traditional Name: 4a-ethyl-2-prop-1-ynyl-7-(2-pyridylmethoxy)-1,3,4,9,10,10a-hexahydrophenanthrene-2,3-diol Formula: C25H29NO3 MolecularWeight: 391.50266

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CC(C(CC1CCC3=C2C=CC(=C3)OCC4=CC=CC=N4)(C#CC)O)O

Isomeric SMILES

CCC12CC(C(CC1CCC3=C2C=CC(=C3)OCC4=CC=CC=N4)(C#CC)O)O

InChI

InChI=1S/C25H29NO3/c1-3-12-25(28)15-19-9-8-18-14-21(29-17-20-7-5-6-13-26-20)10-11-22(18)24(19,4-2)16-23(25)27/h5-7,10-11,13-14,19,23,27-28H,4,8-9,15-17H2,1-2H3