[4-(5-decylpyrimidin-2-yl)phenyl] 3-bromanyl-4-octan-2-yloxy-benzoate

Systemtic Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-bromanyl-4-octan-2-yloxy-benzoate Openeye Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-bromo-4-(1-methylheptoxy)benzoate CAS Name: 3-bromo-4-octan-2-yloxybenzoic acid [4-(5-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-bromo-4-octan-2-yloxybenzoate Traditional Name: 3-bromo-4-(1-methylheptoxy)benzoic acid [4-(5-decylpyrimidin-2-yl)phenyl] ester Formula: C35H47BrN2O3 MolecularWeight: 623.66328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OC(C)CCCCCC)Br

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OC(C)CCCCCC)Br

InChI

InChI=1S/C35H47BrN2O3/c1-4-6-8-10-11-12-13-15-17-28-25-37-34(38-26-28)29-18-21-31(22-19-29)41-35(39)30-20-23-33(32(36)24-30)40-27(3)16-14-9-7-5-2/h18-27H,4-17H2,1-3H3