phenyl 4-pentyl-4-(5-propylpyridin-2-yl)cyclohexane-1-carboxylate

Systemtic Name: phenyl 4-pentyl-4-(5-propylpyridin-2-yl)cyclohexane-1-carboxylate Openeye Name: phenyl 4-pentyl-4-(5-propyl-2-pyridyl)cyclohexanecarboxylate CAS Name: 4-pentyl-4-(5-propyl-2-pyridinyl)-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 4-pentyl-4-(5-propylpyridin-2-yl)cyclohexane-1-carboxylate Traditional Name: 4-amyl-4-(5-propyl-2-pyridyl)cyclohexanecarboxylic acid phenyl ester Formula: C26H35NO2 MolecularWeight: 393.5616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CCC(CC1)C(=O)OC2=CC=CC=C2)C3=NC=C(C=C3)CCC

Isomeric SMILES

CCCCCC1(CCC(CC1)C(=O)OC2=CC=CC=C2)C3=NC=C(C=C3)CCC

InChI

InChI=1S/C26H35NO2/c1-3-5-9-17-26(24-14-13-21(10-4-2)20-27-24)18-15-22(16-19-26)25(28)29-23-11-7-6-8-12-23/h6-8,11-14,20,22H,3-5,9-10,15-19H2,1-2H3