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

Systemtic Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-chloranyl-4-octoxy-benzoate Openeye Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-chloro-4-octoxy-benzoate CAS Name: 3-chloro-4-octoxybenzoic acid [4-(5-propyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-propylpyrimidin-2-yl)phenyl] 3-chloro-4-octoxybenzoate Traditional Name: 3-chloro-4-octoxy-benzoic acid [4-(5-propylpyrimidin-2-yl)phenyl] ester Formula: C28H33ClN2O3 MolecularWeight: 481.02622

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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)CCC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H33ClN2O3/c1-3-5-6-7-8-9-17-33-26-16-13-23(18-25(26)29)28(32)34-24-14-11-22(12-15-24)27-30-19-21(10-4-2)20-31-27/h11-16,18-20H,3-10,17H2,1-2H3