pyrimidin-5-yl 2-(4-nonylphenyl)-4-propyl-benzoate

Systemtic Name: pyrimidin-5-yl 2-(4-nonylphenyl)-4-propyl-benzoate Openeye Name: pyrimidin-5-yl 2-(4-nonylphenyl)-4-propyl-benzoate CAS Name: 2-(4-nonylphenyl)-4-propylbenzoic acid 5-pyrimidinyl ester IUPAC Name: pyrimidin-5-yl 2-(4-nonylphenyl)-4-propylbenzoate Traditional Name: 2-(4-nonylphenyl)-4-propyl-benzoic acid 5-pyrimidyl ester Formula: C29H36N2O2 MolecularWeight: 444.60834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)CCC)C(=O)OC3=CN=CN=C3

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)CCC)C(=O)OC3=CN=CN=C3

InChI

InChI=1S/C29H36N2O2/c1-3-5-6-7-8-9-10-12-23-13-16-25(17-14-23)28-19-24(11-4-2)15-18-27(28)29(32)33-26-20-30-22-31-21-26/h13-22H,3-12H2,1-2H3