pyrazin-2-yl 4-butoxy-3-(4-heptylphenyl)benzoate

Systemtic Name: pyrazin-2-yl 4-butoxy-3-(4-heptylphenyl)benzoate Openeye Name: pyrazin-2-yl 4-butoxy-3-(4-heptylphenyl)benzoate CAS Name: 4-butoxy-3-(4-heptylphenyl)benzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 4-butoxy-3-(4-heptylphenyl)benzoate Traditional Name: 4-butoxy-3-(4-heptylphenyl)benzoic acid pyrazin-2-yl ester Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)OC3=NC=CN=C3)OCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)OC3=NC=CN=C3)OCCCC

InChI

InChI=1S/C28H34N2O3/c1-3-5-7-8-9-10-22-11-13-23(14-12-22)25-20-24(15-16-26(25)32-19-6-4-2)28(31)33-27-21-29-17-18-30-27/h11-18,20-21H,3-10,19H2,1-2H3