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

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-chloranyl-4-octoxy-benzoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-chloro-4-octoxy-benzoate CAS Name: 3-chloro-4-octoxybenzoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-chloro-4-octoxybenzoate Traditional Name: 3-chloro-4-octoxy-benzoic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C32H41ClN2O3 MolecularWeight: 537.13254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCC)Cl

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCC)Cl

InChI

InChI=1S/C32H41ClN2O3/c1-3-5-7-9-11-13-21-37-30-20-17-27(22-29(30)33)32(36)38-28-18-15-26(16-19-28)31-34-23-25(24-35-31)14-12-10-8-6-4-2/h15-20,22-24H,3-14,21H2,1-2H3