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

Systemtic Name: pyrazin-2-yl 3-(4-hexylphenyl)-4-methoxy-benzoate Openeye Name: pyrazin-2-yl 3-(4-hexylphenyl)-4-methoxy-benzoate CAS Name: 3-(4-hexylphenyl)-4-methoxybenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 3-(4-hexylphenyl)-4-methoxybenzoate Traditional Name: 3-(4-hexylphenyl)-4-methoxy-benzoic acid pyrazin-2-yl ester Formula: C24H26N2O3 MolecularWeight: 390.47484

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H26N2O3/c1-3-4-5-6-7-18-8-10-19(11-9-18)21-16-20(12-13-22(21)28-2)24(27)29-23-17-25-14-15-26-23/h8-17H,3-7H2,1-2H3