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

Systemtic Name: pyrazin-2-yl 3-(4-butylphenyl)-4-heptyl-benzoate Openeye Name: pyrazin-2-yl 3-(4-butylphenyl)-4-heptyl-benzoate CAS Name: 3-(4-butylphenyl)-4-heptylbenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 3-(4-butylphenyl)-4-heptylbenzoate Traditional Name: 3-(4-butylphenyl)-4-heptyl-benzoic acid pyrazin-2-yl ester Formula: C28H34N2O2 MolecularWeight: 430.58176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O2/c1-3-5-7-8-9-11-23-16-17-25(28(31)32-27-21-29-18-19-30-27)20-26(23)24-14-12-22(13-15-24)10-6-4-2/h12-21H,3-11H2,1-2H3