[4-(5-decylpyrimidin-2-yl)phenyl] 4-heptylcyclohex-3-ene-1-carboxylate

Systemtic Name: [4-(5-decylpyrimidin-2-yl)phenyl] 4-heptylcyclohex-3-ene-1-carboxylate Openeye Name: [4-(5-decylpyrimidin-2-yl)phenyl] 4-heptylcyclohex-3-ene-1-carboxylate CAS Name: 4-heptyl-1-cyclohex-3-enecarboxylic acid [4-(5-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)phenyl] 4-heptylcyclohex-3-ene-1-carboxylate Traditional Name: 4-heptylcyclohex-3-ene-1-carboxylic acid [4-(5-decylpyrimidin-2-yl)phenyl] ester Formula: C34H50N2O2 MolecularWeight: 518.773

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3CCC(=CC3)CCCCCCC

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3CCC(=CC3)CCCCCCC

InChI

InChI=1S/C34H50N2O2/c1-3-5-7-9-10-11-13-15-17-29-26-35-33(36-27-29)30-22-24-32(25-23-30)38-34(37)31-20-18-28(19-21-31)16-14-12-8-6-4-2/h18,22-27,31H,3-17,19-21H2,1-2H3