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

Systemtic Name: pyrimidin-5-yl 4-heptyl-2-(4-propylphenyl)benzoate Openeye Name: pyrimidin-5-yl 4-heptyl-2-(4-propylphenyl)benzoate CAS Name: 4-heptyl-2-(4-propylphenyl)benzoic acid 5-pyrimidinyl ester IUPAC Name: pyrimidin-5-yl 4-heptyl-2-(4-propylphenyl)benzoate Traditional Name: 4-heptyl-2-(4-propylphenyl)benzoic acid 5-pyrimidyl ester Formula: C27H32N2O2 MolecularWeight: 416.55518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)C(=O)OC2=CN=CN=C2)C3=CC=C(C=C3)CCC

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)C(=O)OC2=CN=CN=C2)C3=CC=C(C=C3)CCC

InChI

InChI=1S/C27H32N2O2/c1-3-5-6-7-8-10-22-13-16-25(27(30)31-24-18-28-20-29-19-24)26(17-22)23-14-11-21(9-4-2)12-15-23/h11-20H,3-10H2,1-2H3