(5-decyl-2-phenyl-pyrimidin-4-yl) 4-pentylcyclohex-3-ene-1-carboxylate

Systemtic Name: (5-decyl-2-phenyl-pyrimidin-4-yl) 4-pentylcyclohex-3-ene-1-carboxylate Openeye Name: (5-decyl-2-phenyl-pyrimidin-4-yl) 4-pentylcyclohex-3-ene-1-carboxylate CAS Name: 4-pentyl-1-cyclohex-3-enecarboxylic acid (5-decyl-2-phenyl-4-pyrimidinyl) ester IUPAC Name: (5-decyl-2-phenylpyrimidin-4-yl) 4-pentylcyclohex-3-ene-1-carboxylate Traditional Name: 4-amylcyclohex-3-ene-1-carboxylic acid (5-decyl-2-phenyl-pyrimidin-4-yl) ester Formula: C32H46N2O2 MolecularWeight: 490.71984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1OC(=O)C2CCC(=CC2)CCCCC)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1OC(=O)C2CCC(=CC2)CCCCC)C3=CC=CC=C3

InChI

InChI=1S/C32H46N2O2/c1-3-5-7-8-9-10-11-14-20-29-25-33-30(27-18-15-12-16-19-27)34-31(29)36-32(35)28-23-21-26(22-24-28)17-13-6-4-2/h12,15-16,18-19,21,25,28H,3-11,13-14,17,20,22-24H2,1-2H3