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

Systemtic Name: pyrazin-2-yl 3-(4-ethylphenyl)-4-propyl-benzoate Openeye Name: pyrazin-2-yl 3-(4-ethylphenyl)-4-propyl-benzoate CAS Name: 3-(4-ethylphenyl)-4-propylbenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 3-(4-ethylphenyl)-4-propylbenzoate Traditional Name: 3-(4-ethylphenyl)-4-propyl-benzoic acid pyrazin-2-yl ester Formula: C22H22N2O2 MolecularWeight: 346.42228

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1)C(=O)OC2=NC=CN=C2)C3=CC=C(C=C3)CC

Isomeric SMILES

CCCC1=C(C=C(C=C1)C(=O)OC2=NC=CN=C2)C3=CC=C(C=C3)CC

InChI

InChI=1S/C22H22N2O2/c1-3-5-17-10-11-19(22(25)26-21-15-23-12-13-24-21)14-20(17)18-8-6-16(4-2)7-9-18/h6-15H,3-5H2,1-2H3