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

Systemtic Name: 4a-ethyl-2-phenyl-7-(pyridin-4-ylmethoxy)-1,3,4,9,10,10a-hexahydrophenanthrene-2,3-diol Openeye Name: 4a-ethyl-2-phenyl-7-(4-pyridylmethoxy)-1,3,4,9,10,10a-hexahydrophenanthrene-2,3-diol CAS Name: 4a-ethyl-2-phenyl-7-(pyridin-4-ylmethoxy)-1,3,4,9,10,10a-hexahydrophenanthrene-2,3-diol IUPAC Name: 4a-ethyl-2-phenyl-7-(pyridin-4-ylmethoxy)-1,3,4,9,10,10a-hexahydrophenanthrene-2,3-diol Traditional Name: 4a-ethyl-2-phenyl-7-(4-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=CC=NC=C4)(C5=CC=CC=C5)O)O

Isomeric SMILES

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

InChI

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