pyrimidin-5-yl 4-heptyl-2-(4-pentylphenyl)benzoate

Systemtic Name: pyrimidin-5-yl 4-heptyl-2-(4-pentylphenyl)benzoate Openeye Name: pyrimidin-5-yl 4-heptyl-2-(4-pentylphenyl)benzoate CAS Name: 4-heptyl-2-(4-pentylphenyl)benzoic acid 5-pyrimidinyl ester IUPAC Name: pyrimidin-5-yl 4-heptyl-2-(4-pentylphenyl)benzoate Traditional Name: 2-(4-amylphenyl)-4-heptyl-benzoic acid 5-pyrimidyl ester Formula: C29H36N2O2 MolecularWeight: 444.60834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)C(=O)OC2=CN=CN=C2)C3=CC=C(C=C3)CCCCC

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)C(=O)OC2=CN=CN=C2)C3=CC=C(C=C3)CCCCC

InChI

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