[4-(5-pentylpyrimidin-2-yl)phenyl] (E)-12-cyclohexyldodec-2-enoate

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] (E)-12-cyclohexyldodec-2-enoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] (E)-12-cyclohexyldodec-2-enoate CAS Name: (E)-12-cyclohexyl-2-dodecenoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] (E)-12-cyclohexyldodec-2-enoate Traditional Name: (E)-12-cyclohexyldodec-2-enoic acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C33H48N2O2 MolecularWeight: 504.74642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C=CCCCCCCCCCC3CCCCC3

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)/C=C/CCCCCCCCCC3CCCCC3

InChI

InChI=1S/C33H48N2O2/c1-2-3-12-20-29-26-34-33(35-27-29)30-22-24-31(25-23-30)37-32(36)21-16-10-8-6-4-5-7-9-13-17-28-18-14-11-15-19-28/h16,21-28H,2-15,17-20H2,1H3/b21-16+