[4-(5-decylpyrimidin-2-yl)phenyl] 3-chloranyl-4-hexyl-benzoate

Systemtic Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-chloranyl-4-hexyl-benzoate Openeye Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-chloro-4-hexyl-benzoate CAS Name: 3-chloro-4-hexylbenzoic acid [4-(5-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-chloro-4-hexylbenzoate Traditional Name: 3-chloro-4-hexyl-benzoic acid [4-(5-decylpyrimidin-2-yl)phenyl] ester Formula: C33H43ClN2O2 MolecularWeight: 535.15972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCC)Cl

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCC)Cl

InChI

InChI=1S/C33H43ClN2O2/c1-3-5-7-9-10-11-12-13-15-26-24-35-32(36-25-26)28-19-21-30(22-20-28)38-33(37)29-18-17-27(31(34)23-29)16-14-8-6-4-2/h17-25H,3-16H2,1-2H3