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

Systemtic Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-chloranyl-4-hexyl-benzoate Openeye Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-chloro-4-hexyl-benzoate CAS Name: 3-chloro-4-hexylbenzoic acid [4-(5-propyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-chloro-4-hexylbenzoate Traditional Name: 3-chloro-4-hexyl-benzoic acid [4-(5-propylpyrimidin-2-yl)phenyl] ester Formula: C26H29ClN2O2 MolecularWeight: 436.97366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCC)Cl

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCC)Cl

InChI

InChI=1S/C26H29ClN2O2/c1-3-5-6-7-9-20-10-11-22(16-24(20)27)26(30)31-23-14-12-21(13-15-23)25-28-17-19(8-4-2)18-29-25/h10-18H,3-9H2,1-2H3