(3-fluorophenyl) 4-cyano-7-heptyl-1,2,3,4,5,6,7,8-octahydrophenanthrene-2-carboxylate

Systemtic Name: (3-fluorophenyl) 4-cyano-7-heptyl-1,2,3,4,5,6,7,8-octahydrophenanthrene-2-carboxylate Openeye Name: (3-fluorophenyl) 4-cyano-7-heptyl-1,2,3,4,5,6,7,8-octahydrophenanthrene-2-carboxylate CAS Name: 4-cyano-7-heptyl-1,2,3,4,5,6,7,8-octahydrophenanthrene-2-carboxylic acid (3-fluorophenyl) ester IUPAC Name: (3-fluorophenyl) 4-cyano-7-heptyl-1,2,3,4,5,6,7,8-octahydrophenanthrene-2-carboxylate Traditional Name: 4-cyano-7-heptyl-1,2,3,4,5,6,7,8-octahydrophenanthrene-2-carboxylic acid (3-fluorophenyl) ester Formula: C29H34FNO2 MolecularWeight: 447.584163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC2=C(C1)C=CC3=C2C(CC(C3)C(=O)OC4=CC(=CC=C4)F)C#N

Isomeric SMILES

CCCCCCCC1CCC2=C(C1)C=CC3=C2C(CC(C3)C(=O)OC4=CC(=CC=C4)F)C#N

InChI

InChI=1S/C29H34FNO2/c1-2-3-4-5-6-8-20-11-14-27-21(15-20)12-13-22-16-23(17-24(19-31)28(22)27)29(32)33-26-10-7-9-25(30)18-26/h7,9-10,12-13,18,20,23-24H,2-6,8,11,14-17H2,1H3