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

Systemtic Name: pyrimidin-5-yl 2-(4-decylphenyl)-4-propyl-benzoate Openeye Name: pyrimidin-5-yl 2-(4-decylphenyl)-4-propyl-benzoate CAS Name: 2-(4-decylphenyl)-4-propylbenzoic acid 5-pyrimidinyl ester IUPAC Name: pyrimidin-5-yl 2-(4-decylphenyl)-4-propylbenzoate Traditional Name: 2-(4-decylphenyl)-4-propyl-benzoic acid 5-pyrimidyl ester Formula: C30H38N2O2 MolecularWeight: 458.63492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)CCC)C(=O)OC3=CN=CN=C3

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)CCC)C(=O)OC3=CN=CN=C3

InChI

InChI=1S/C30H38N2O2/c1-3-5-6-7-8-9-10-11-13-24-14-17-26(18-15-24)29-20-25(12-4-2)16-19-28(29)30(33)34-27-21-31-23-32-22-27/h14-23H,3-13H2,1-2H3