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

Systemtic Name: (4-cyanophenyl) 7-propyl-1,2,3,4,5,6,7,8-octahydrophenanthrene-2-carboxylate Openeye Name: (4-cyanophenyl) 7-propyl-1,2,3,4,5,6,7,8-octahydrophenanthrene-2-carboxylate CAS Name: 7-propyl-1,2,3,4,5,6,7,8-octahydrophenanthrene-2-carboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 7-propyl-1,2,3,4,5,6,7,8-octahydrophenanthrene-2-carboxylate Traditional Name: 7-propyl-1,2,3,4,5,6,7,8-octahydrophenanthrene-2-carboxylic acid (4-cyanophenyl) ester Formula: C25H27NO2 MolecularWeight: 373.48738

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC2=C(C1)C=CC3=C2CCC(C3)C(=O)OC4=CC=C(C=C4)C#N

Isomeric SMILES

CCCC1CCC2=C(C1)C=CC3=C2CCC(C3)C(=O)OC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H27NO2/c1-2-3-17-6-12-23-19(14-17)7-8-20-15-21(9-13-24(20)23)25(27)28-22-10-4-18(16-26)5-11-22/h4-5,7-8,10-11,17,21H,2-3,6,9,12-15H2,1H3