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

Systemtic Name: phenyl 4-(5-butylpyridin-2-yl)-4-octyl-cyclohexane-1-carboxylate Openeye Name: phenyl 4-(5-butyl-2-pyridyl)-4-octyl-cyclohexanecarboxylate CAS Name: 4-(5-butyl-2-pyridinyl)-4-octyl-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 4-(5-butylpyridin-2-yl)-4-octylcyclohexane-1-carboxylate Traditional Name: 4-(5-butyl-2-pyridyl)-4-octyl-cyclohexanecarboxylic acid phenyl ester Formula: C30H43NO2 MolecularWeight: 449.66792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H43NO2/c1-3-5-7-8-9-13-21-30(28-18-17-25(24-31-28)14-6-4-2)22-19-26(20-23-30)29(32)33-27-15-11-10-12-16-27/h10-12,15-18,24,26H,3-9,13-14,19-23H2,1-2H3