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

Systemtic Name: phenyl 4-(5-ethylpyridin-2-yl)-4-heptyl-cyclohexane-1-carboxylate Openeye Name: phenyl 4-(5-ethyl-2-pyridyl)-4-heptyl-cyclohexanecarboxylate CAS Name: 4-(5-ethyl-2-pyridinyl)-4-heptyl-1-cyclohexanecarboxylic acid phenyl ester IUPAC Name: phenyl 4-(5-ethylpyridin-2-yl)-4-heptylcyclohexane-1-carboxylate Traditional Name: 4-(5-ethyl-2-pyridyl)-4-heptyl-cyclohexanecarboxylic acid phenyl ester Formula: C27H37NO2 MolecularWeight: 407.58818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37NO2/c1-3-5-6-7-11-18-27(25-15-14-22(4-2)21-28-25)19-16-23(17-20-27)26(29)30-24-12-9-8-10-13-24/h8-10,12-15,21,23H,3-7,11,16-20H2,1-2H3