pyrazin-2-yl 3-(4-hexylphenyl)-4-propoxy-benzoate

Systemtic Name: pyrazin-2-yl 3-(4-hexylphenyl)-4-propoxy-benzoate Openeye Name: pyrazin-2-yl 3-(4-hexylphenyl)-4-propoxy-benzoate CAS Name: 3-(4-hexylphenyl)-4-propoxybenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 3-(4-hexylphenyl)-4-propoxybenzoate Traditional Name: 3-(4-hexylphenyl)-4-propoxy-benzoic acid pyrazin-2-yl ester Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)OC3=NC=CN=C3)OCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)OC3=NC=CN=C3)OCCC

InChI

InChI=1S/C26H30N2O3/c1-3-5-6-7-8-20-9-11-21(12-10-20)23-18-22(13-14-24(23)30-17-4-2)26(29)31-25-19-27-15-16-28-25/h9-16,18-19H,3-8,17H2,1-2H3