(4-pyrimidin-2-ylphenyl) 4-pentylcyclohexane-1-carboxylate

Systemtic Name: (4-pyrimidin-2-ylphenyl) 4-pentylcyclohexane-1-carboxylate Openeye Name: (4-pyrimidin-2-ylphenyl) 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [4-(2-pyrimidinyl)phenyl] ester IUPAC Name: (4-pyrimidin-2-ylphenyl) 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [4-(2-pyrimidyl)phenyl] ester Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=NC=CC=N3

Isomeric SMILES

CCCCCC1CCC(CC1)C(=O)OC2=CC=C(C=C2)C3=NC=CC=N3

InChI

InChI=1S/C22H28N2O2/c1-2-3-4-6-17-7-9-19(10-8-17)22(25)26-20-13-11-18(12-14-20)21-23-15-5-16-24-21/h5,11-17,19H,2-4,6-10H2,1H3