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

Systemtic Name: phenyl 4-octyl-4-(5-propylpyridin-2-yl)cyclohexane-1-carboxylate Openeye Name: phenyl 4-octyl-4-(5-propyl-2-pyridyl)cyclohexanecarboxylate CAS Name: 4-octyl-4-(5-propyl-2-pyridinyl)-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 4-octyl-4-(5-propylpyridin-2-yl)cyclohexane-1-carboxylate Traditional Name: 4-octyl-4-(5-propyl-2-pyridyl)cyclohexanecarboxylic acid phenyl ester Formula: C29H41NO2 MolecularWeight: 435.64134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(CCC(CC1)C(=O)OC2=CC=CC=C2)C3=NC=C(C=C3)CCC

Isomeric SMILES

CCCCCCCCC1(CCC(CC1)C(=O)OC2=CC=CC=C2)C3=NC=C(C=C3)CCC

InChI

InChI=1S/C29H41NO2/c1-3-5-6-7-8-12-20-29(27-17-16-24(13-4-2)23-30-27)21-18-25(19-22-29)28(31)32-26-14-10-9-11-15-26/h9-11,14-17,23,25H,3-8,12-13,18-22H2,1-2H3