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

Systemtic Name: pyrazin-2-yl 3-(4-butylphenyl)-4-pentyl-benzoate Openeye Name: pyrazin-2-yl 3-(4-butylphenyl)-4-pentyl-benzoate CAS Name: 3-(4-butylphenyl)-4-pentylbenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 3-(4-butylphenyl)-4-pentylbenzoate Traditional Name: 4-amyl-3-(4-butylphenyl)benzoic acid pyrazin-2-yl ester Formula: C26H30N2O2 MolecularWeight: 402.5286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C=C1)C(=O)OC2=NC=CN=C2)C3=CC=C(C=C3)CCCC

Isomeric SMILES

CCCCCC1=C(C=C(C=C1)C(=O)OC2=NC=CN=C2)C3=CC=C(C=C3)CCCC

InChI

InChI=1S/C26H30N2O2/c1-3-5-7-9-21-14-15-23(26(29)30-25-19-27-16-17-28-25)18-24(21)22-12-10-20(11-13-22)8-6-4-2/h10-19H,3-9H2,1-2H3