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

Systemtic Name: pyrimidin-5-yl 2-(4-heptylphenyl)-4-propyl-benzoate Openeye Name: pyrimidin-5-yl 2-(4-heptylphenyl)-4-propyl-benzoate CAS Name: 2-(4-heptylphenyl)-4-propylbenzoic acid 5-pyrimidinyl ester IUPAC Name: pyrimidin-5-yl 2-(4-heptylphenyl)-4-propylbenzoate Traditional Name: 2-(4-heptylphenyl)-4-propyl-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)C2=C(C=CC(=C2)CCC)C(=O)OC3=CN=CN=C3

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)CCC)C(=O)OC3=CN=CN=C3

InChI

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