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

Systemtic Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-chloranyl-4-octyl-benzoate Openeye Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-chloro-4-octyl-benzoate CAS Name: 3-chloro-4-octylbenzoic acid [4-(5-propyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-chloro-4-octylbenzoate Traditional Name: 3-chloro-4-octyl-benzoic acid [4-(5-propylpyrimidin-2-yl)phenyl] ester Formula: C28H33ClN2O2 MolecularWeight: 465.02682

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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)CCC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H33ClN2O2/c1-3-5-6-7-8-9-11-22-12-13-24(18-26(22)29)28(32)33-25-16-14-23(15-17-25)27-30-19-21(10-4-2)20-31-27/h12-20H,3-11H2,1-2H3