pyrimidin-5-yl 2-(4-heptylphenyl)-4-nonyl-benzoate

Systemtic Name: pyrimidin-5-yl 2-(4-heptylphenyl)-4-nonyl-benzoate Openeye Name: pyrimidin-5-yl 2-(4-heptylphenyl)-4-nonyl-benzoate CAS Name: 2-(4-heptylphenyl)-4-nonylbenzoic acid 5-pyrimidinyl ester IUPAC Name: pyrimidin-5-yl 2-(4-heptylphenyl)-4-nonylbenzoate Traditional Name: 2-(4-heptylphenyl)-4-nonyl-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)C(=O)OC2=CN=CN=C2)C3=CC=C(C=C3)CCCCCCC

Isomeric SMILES

CCCCCCCCCC1=CC(=C(C=C1)C(=O)OC2=CN=CN=C2)C3=CC=C(C=C3)CCCCCCC

InChI

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