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

Systemtic Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 3-chloranyl-4-octan-2-yloxy-benzoate Openeye Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 3-chloro-4-(1-methylheptoxy)benzoate CAS Name: 3-chloro-4-octan-2-yloxybenzoic acid [4-(5-nonyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 3-chloro-4-octan-2-yloxybenzoate Traditional Name: 3-chloro-4-(1-methylheptoxy)benzoic acid [4-(5-nonylpyrimidin-2-yl)phenyl] ester Formula: C34H45ClN2O3 MolecularWeight: 565.1857

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OC(C)CCCCCC)Cl

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OC(C)CCCCCC)Cl

InChI

InChI=1S/C34H45ClN2O3/c1-4-6-8-10-11-12-14-16-27-24-36-33(37-25-27)28-17-20-30(21-18-28)40-34(38)29-19-22-32(31(35)23-29)39-26(3)15-13-9-7-5-2/h17-26H,4-16H2,1-3H3