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

Systemtic Name: 4a-ethyl-2-prop-1-ynyl-7-(pyridin-4-ylmethoxy)-1,3,4,9,10,10a-hexahydrophenanthrene-2,3-diol Openeye Name: 4a-ethyl-2-prop-1-ynyl-7-(4-pyridylmethoxy)-1,3,4,9,10,10a-hexahydrophenanthrene-2,3-diol CAS Name: 4a-ethyl-2-prop-1-ynyl-7-(pyridin-4-ylmethoxy)-1,3,4,9,10,10a-hexahydrophenanthrene-2,3-diol IUPAC Name: 4a-ethyl-2-prop-1-ynyl-7-(pyridin-4-ylmethoxy)-1,3,4,9,10,10a-hexahydrophenanthrene-2,3-diol Traditional Name: 4a-ethyl-2-prop-1-ynyl-7-(4-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=NC=C4)(C#CC)O)O

Isomeric SMILES

CCC12CC(C(CC1CCC3=C2C=CC(=C3)OCC4=CC=NC=C4)(C#CC)O)O

InChI

InChI=1S/C25H29NO3/c1-3-11-25(28)15-20-6-5-19-14-21(29-17-18-9-12-26-13-10-18)7-8-22(19)24(20,4-2)16-23(25)27/h7-10,12-14,20,23,27-28H,4-6,15-17H2,1-2H3