phenyl 4-heptyl-4-(5-pentylpyridin-2-yl)cyclohexane-1-carboxylate

Systemtic Name: phenyl 4-heptyl-4-(5-pentylpyridin-2-yl)cyclohexane-1-carboxylate Openeye Name: phenyl 4-heptyl-4-(5-pentyl-2-pyridyl)cyclohexanecarboxylate CAS Name: 4-heptyl-4-(5-pentyl-2-pyridinyl)-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 4-heptyl-4-(5-pentylpyridin-2-yl)cyclohexane-1-carboxylate Traditional Name: 4-(5-amyl-2-pyridyl)-4-heptyl-cyclohexanecarboxylic acid phenyl ester Formula: C30H43NO2 MolecularWeight: 449.66792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)C(=O)OC2=CC=CC=C2)C3=NC=C(C=C3)CCCCC

Isomeric SMILES

CCCCCCCC1(CCC(CC1)C(=O)OC2=CC=CC=C2)C3=NC=C(C=C3)CCCCC

InChI

InChI=1S/C30H43NO2/c1-3-5-7-8-13-21-30(28-18-17-25(24-31-28)14-10-6-4-2)22-19-26(20-23-30)29(32)33-27-15-11-9-12-16-27/h9,11-12,15-18,24,26H,3-8,10,13-14,19-23H2,1-2H3