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

Systemtic Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-chloranyl-4-octan-2-yloxy-benzoate Openeye Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-chloro-4-(1-methylheptoxy)benzoate CAS Name: 3-chloro-4-octan-2-yloxybenzoic acid [4-(5-pentyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrimidin-2-yl)phenyl] 3-chloro-4-octan-2-yloxybenzoate Traditional Name: 3-chloro-4-(1-methylheptoxy)benzoic acid [4-(5-amylpyrimidin-2-yl)phenyl] ester Formula: C30H37ClN2O3 MolecularWeight: 509.07938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCC)Cl

Isomeric SMILES

CCCCCCC(C)OC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCC)Cl

InChI

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