(4-cyanophenyl) 7-pentyl-1,2,3,5,6,7,8,9-octahydrophenanthrene-2-carboxylate

Systemtic Name: (4-cyanophenyl) 7-pentyl-1,2,3,5,6,7,8,9-octahydrophenanthrene-2-carboxylate Openeye Name: (4-cyanophenyl) 7-pentyl-1,2,3,5,6,7,8,9-octahydrophenanthrene-2-carboxylate CAS Name: 7-pentyl-1,2,3,5,6,7,8,9-octahydrophenanthrene-2-carboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 7-pentyl-1,2,3,5,6,7,8,9-octahydrophenanthrene-2-carboxylate Traditional Name: 7-amyl-1,2,3,5,6,7,8,9-octahydrophenanthrene-2-carboxylic acid (4-cyanophenyl) ester Formula: C27H31NO2 MolecularWeight: 401.54054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC2=C(C1)CC=C3C2=CCC(C3)C(=O)OC4=CC=C(C=C4)C#N

Isomeric SMILES

CCCCCC1CCC2=C(C1)CC=C3C2=CCC(C3)C(=O)OC4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H31NO2/c1-2-3-4-5-19-8-14-25-21(16-19)9-10-22-17-23(11-15-26(22)25)27(29)30-24-12-6-20(18-28)7-13-24/h6-7,10,12-13,15,19,23H,2-5,8-9,11,14,16-17H2,1H3