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

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-chloranyl-4-octoxy-benzoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-chloro-4-octoxy-benzoate CAS Name: 3-chloro-4-octoxybenzoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-chloro-4-octoxybenzoate Traditional Name: 3-chloro-4-octoxy-benzoic acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C30H37ClN2O3 MolecularWeight: 509.07938

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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)CCCCC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C30H37ClN2O3/c1-3-5-7-8-9-11-19-35-28-18-15-25(20-27(28)31)30(34)36-26-16-13-24(14-17-26)29-32-21-23(22-33-29)12-10-6-4-2/h13-18,20-22H,3-12,19H2,1-2H3