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

Systemtic Name: pyrazin-2-yl 3-(4-heptylphenyl)-4-methoxy-benzoate Openeye Name: pyrazin-2-yl 3-(4-heptylphenyl)-4-methoxy-benzoate CAS Name: 3-(4-heptylphenyl)-4-methoxybenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 3-(4-heptylphenyl)-4-methoxybenzoate Traditional Name: 3-(4-heptylphenyl)-4-methoxy-benzoic acid pyrazin-2-yl ester Formula: C25H28N2O3 MolecularWeight: 404.50142

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O3/c1-3-4-5-6-7-8-19-9-11-20(12-10-19)22-17-21(13-14-23(22)29-2)25(28)30-24-18-26-15-16-27-24/h9-18H,3-8H2,1-2H3