pyrazin-2-yl 3-(4-pentylphenyl)-4-propyl-benzoate

Systemtic Name: pyrazin-2-yl 3-(4-pentylphenyl)-4-propyl-benzoate Openeye Name: pyrazin-2-yl 3-(4-pentylphenyl)-4-propyl-benzoate CAS Name: 3-(4-pentylphenyl)-4-propylbenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 3-(4-pentylphenyl)-4-propylbenzoate Traditional Name: 3-(4-amylphenyl)-4-propyl-benzoic acid pyrazin-2-yl ester Formula: C25H28N2O2 MolecularWeight: 388.50202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)OC3=NC=CN=C3)CCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)OC3=NC=CN=C3)CCC

InChI

InChI=1S/C25H28N2O2/c1-3-5-6-8-19-9-11-21(12-10-19)23-17-22(14-13-20(23)7-4-2)25(28)29-24-18-26-15-16-27-24/h9-18H,3-8H2,1-2H3