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

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-chloranyl-4-octoxy-benzoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-chloro-4-octoxy-benzoate CAS Name: 3-chloro-4-octoxybenzoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-chloro-4-octoxybenzoate Traditional Name: 3-chloro-4-octoxy-benzoic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C33H43ClN2O3 MolecularWeight: 551.15912

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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)OCCCCCCCC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C33H43ClN2O3/c1-3-5-7-9-11-13-15-26-24-35-32(36-25-26)27-16-19-29(20-17-27)39-33(37)28-18-21-31(30(34)23-28)38-22-14-12-10-8-6-4-2/h16-21,23-25H,3-15,22H2,1-2H3