4a-ethyl-3-methyl-2-phenyl-7-(2H-1,2,3,4-tetrazol-5-ylmethoxy)-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol

Systemtic Name: 4a-ethyl-3-methyl-2-phenyl-7-(2H-1,2,3,4-tetrazol-5-ylmethoxy)-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol Openeye Name: 4a-ethyl-3-methyl-2-phenyl-7-(2H-tetrazol-5-ylmethoxy)-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol CAS Name: 4a-ethyl-3-methyl-2-phenyl-7-(2H-tetrazol-5-ylmethoxy)-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol IUPAC Name: 4a-ethyl-3-methyl-2-phenyl-7-(2H-tetrazol-5-ylmethoxy)-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol Traditional Name: 4a-ethyl-3-methyl-2-phenyl-7-(2H-tetrazol-5-ylmethoxy)-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3-diol Formula: C25H30N4O3 MolecularWeight: 434.5307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC12CC(C(CC1CCC3=C2C=CC(=C3)OCC4=NNN=N4)(C5=CC=CC=C5)O)(C)O

Isomeric SMILES

CCC12CC(C(CC1CCC3=C2C=CC(=C3)OCC4=NNN=N4)(C5=CC=CC=C5)O)(C)O

InChI

InChI=1S/C25H30N4O3/c1-3-24-16-23(2,30)25(31,18-7-5-4-6-8-18)14-19(24)10-9-17-13-20(11-12-21(17)24)32-15-22-26-28-29-27-22/h4-8,11-13,19,30-31H,3,9-10,14-16H2,1-2H3,(H,26,27,28,29)