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

Systemtic Name: pyrimidin-5-yl 4-heptyl-2-(4-nonylphenyl)benzoate Openeye Name: pyrimidin-5-yl 4-heptyl-2-(4-nonylphenyl)benzoate CAS Name: 4-heptyl-2-(4-nonylphenyl)benzoic acid 5-pyrimidinyl ester IUPAC Name: pyrimidin-5-yl 4-heptyl-2-(4-nonylphenyl)benzoate Traditional Name: 4-heptyl-2-(4-nonylphenyl)benzoic acid 5-pyrimidyl ester Formula: C33H44N2O2 MolecularWeight: 500.71466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H44N2O2/c1-3-5-7-9-10-12-13-15-27-17-20-29(21-18-27)32-23-28(16-14-11-8-6-4-2)19-22-31(32)33(36)37-30-24-34-26-35-25-30/h17-26H,3-16H2,1-2H3