pyrazin-2-yl 3-(4-butylphenyl)-4-ethyl-benzoate

Systemtic Name: pyrazin-2-yl 3-(4-butylphenyl)-4-ethyl-benzoate Openeye Name: pyrazin-2-yl 3-(4-butylphenyl)-4-ethyl-benzoate CAS Name: 3-(4-butylphenyl)-4-ethylbenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 3-(4-butylphenyl)-4-ethylbenzoate Traditional Name: 3-(4-butylphenyl)-4-ethyl-benzoic acid pyrazin-2-yl ester Formula: C23H24N2O2 MolecularWeight: 360.44886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)OC3=NC=CN=C3)CC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)OC3=NC=CN=C3)CC

InChI

InChI=1S/C23H24N2O2/c1-3-5-6-17-7-9-19(10-8-17)21-15-20(12-11-18(21)4-2)23(26)27-22-16-24-13-14-25-22/h7-16H,3-6H2,1-2H3