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

Systemtic Name: pyrimidin-5-yl 4-decyl-2-(4-nonylphenyl)benzoate Openeye Name: pyrimidin-5-yl 4-decyl-2-(4-nonylphenyl)benzoate CAS Name: 4-decyl-2-(4-nonylphenyl)benzoic acid 5-pyrimidinyl ester IUPAC Name: pyrimidin-5-yl 4-decyl-2-(4-nonylphenyl)benzoate Traditional Name: 4-decyl-2-(4-nonylphenyl)benzoic acid 5-pyrimidyl ester Formula: C36H50N2O2 MolecularWeight: 542.7944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(C=C1)C(=O)OC2=CN=CN=C2)C3=CC=C(C=C3)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(C=C1)C(=O)OC2=CN=CN=C2)C3=CC=C(C=C3)CCCCCCCCC

InChI

InChI=1S/C36H50N2O2/c1-3-5-7-9-11-13-15-17-19-31-22-25-34(36(39)40-33-27-37-29-38-28-33)35(26-31)32-23-20-30(21-24-32)18-16-14-12-10-8-6-4-2/h20-29H,3-19H2,1-2H3