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

Systemtic Name: (4-cyanophenyl) 7-butyl-1,2,3,4,5,6,7,8-octahydrophenanthrene-2-carboxylate Openeye Name: (4-cyanophenyl) 7-butyl-1,2,3,4,5,6,7,8-octahydrophenanthrene-2-carboxylate CAS Name: 7-butyl-1,2,3,4,5,6,7,8-octahydrophenanthrene-2-carboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 7-butyl-1,2,3,4,5,6,7,8-octahydrophenanthrene-2-carboxylate Traditional Name: 7-butyl-1,2,3,4,5,6,7,8-octahydrophenanthrene-2-carboxylic acid (4-cyanophenyl) ester Formula: C26H29NO2 MolecularWeight: 387.51396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC2=C(C1)C=CC3=C2CCC(C3)C(=O)OC4=CC=C(C=C4)C#N

Isomeric SMILES

CCCCC1CCC2=C(C1)C=CC3=C2CCC(C3)C(=O)OC4=CC=C(C=C4)C#N

InChI

InChI=1S/C26H29NO2/c1-2-3-4-18-7-13-24-20(15-18)8-9-21-16-22(10-14-25(21)24)26(28)29-23-11-5-19(17-27)6-12-23/h5-6,8-9,11-12,18,22H,2-4,7,10,13-16H2,1H3