(3Z)-4a-ethyl-3-(phenylmethylidene)-2-pyridin-2-yl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,7-diol

Systemtic Name: (3Z)-4a-ethyl-3-(phenylmethylidene)-2-pyridin-2-yl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,7-diol Openeye Name: (3Z)-3-benzylidene-4a-ethyl-2-(2-pyridyl)-4,9,10,10a-tetrahydro-1H-phenanthrene-2,7-diol CAS Name: (3Z)-4a-ethyl-3-(phenylmethylene)-2-(2-pyridinyl)-4,9,10,10a-tetrahydro-1H-phenanthrene-2,7-diol IUPAC Name: (3Z)-3-benzylidene-4a-ethyl-2-pyridin-2-yl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,7-diol Traditional Name: (3Z)-3-benzal-4a-ethyl-2-(2-pyridyl)-4,9,10,10a-tetrahydro-1H-phenanthrene-2,7-diol Formula: C28H29NO2 MolecularWeight: 411.53536

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CC(=CC3=CC=CC=C3)C(CC1CCC4=C2C=CC(=C4)O)(C5=CC=CC=N5)O

Isomeric SMILES

CCC12C/C(=C/C3=CC=CC=C3)/C(CC1CCC4=C2C=CC(=C4)O)(C5=CC=CC=N5)O

InChI

InChI=1S/C28H29NO2/c1-2-27-18-23(16-20-8-4-3-5-9-20)28(31,26-10-6-7-15-29-26)19-22(27)12-11-21-17-24(30)13-14-25(21)27/h3-10,13-17,22,30-31H,2,11-12,18-19H2,1H3/b23-16-