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

Systemtic Name: pyrimidin-5-yl 2-(4-decylphenyl)-4-octyl-benzoate Openeye Name: pyrimidin-5-yl 2-(4-decylphenyl)-4-octyl-benzoate CAS Name: 2-(4-decylphenyl)-4-octylbenzoic acid 5-pyrimidinyl ester IUPAC Name: pyrimidin-5-yl 2-(4-decylphenyl)-4-octylbenzoate Traditional Name: 2-(4-decylphenyl)-4-octyl-benzoic acid 5-pyrimidyl ester Formula: C35H48N2O2 MolecularWeight: 528.76782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H48N2O2/c1-3-5-7-9-11-12-14-15-17-29-19-22-31(23-20-29)34-25-30(18-16-13-10-8-6-4-2)21-24-33(34)35(38)39-32-26-36-28-37-27-32/h19-28H,3-18H2,1-2H3