[4-(5-octylpyrimidin-2-yl)phenyl] 3-chloranyl-4-heptyl-benzoate

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-chloranyl-4-heptyl-benzoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-chloro-4-heptyl-benzoate CAS Name: 3-chloro-4-heptylbenzoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-chloro-4-heptylbenzoate Traditional Name: 3-chloro-4-heptyl-benzoic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C32H41ClN2O2 MolecularWeight: 521.13314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCCC)Cl

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCCC)Cl

InChI

InChI=1S/C32H41ClN2O2/c1-3-5-7-9-11-12-14-25-23-34-31(35-24-25)27-18-20-29(21-19-27)37-32(36)28-17-16-26(30(33)22-28)15-13-10-8-6-4-2/h16-24H,3-15H2,1-2H3