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

Systemtic Name: (4-cyanophenyl) 7-heptyl-1,2,3,4,5,6,7,8-octahydrophenanthrene-2-carboxylate Openeye Name: (4-cyanophenyl) 7-heptyl-1,2,3,4,5,6,7,8-octahydrophenanthrene-2-carboxylate CAS Name: 7-heptyl-1,2,3,4,5,6,7,8-octahydrophenanthrene-2-carboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 7-heptyl-1,2,3,4,5,6,7,8-octahydrophenanthrene-2-carboxylate Traditional Name: 7-heptyl-1,2,3,4,5,6,7,8-octahydrophenanthrene-2-carboxylic acid (4-cyanophenyl) ester Formula: C29H35NO2 MolecularWeight: 429.5937

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC2=C(C1)C=CC3=C2CCC(C3)C(=O)OC4=CC=C(C=C4)C#N

Isomeric SMILES

CCCCCCCC1CCC2=C(C1)C=CC3=C2CCC(C3)C(=O)OC4=CC=C(C=C4)C#N

InChI

InChI=1S/C29H35NO2/c1-2-3-4-5-6-7-21-10-16-27-23(18-21)11-12-24-19-25(13-17-28(24)27)29(31)32-26-14-8-22(20-30)9-15-26/h8-9,11-12,14-15,21,25H,2-7,10,13,16-19H2,1H3