[4-(5-heptylpyrimidin-2-yl)phenyl] 3-chloranyl-4-octyl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCC)Cl

Isomeric SMILES

CCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCC)Cl

InChI

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