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

Systemtic Name: pyrazin-2-yl 3-(4-butylphenyl)-4-methoxy-benzoate Openeye Name: pyrazin-2-yl 3-(4-butylphenyl)-4-methoxy-benzoate CAS Name: 3-(4-butylphenyl)-4-methoxybenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 3-(4-butylphenyl)-4-methoxybenzoate Traditional Name: 3-(4-butylphenyl)-4-methoxy-benzoic acid pyrazin-2-yl ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)OC3=NC=CN=C3)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)C(=O)OC3=NC=CN=C3)OC

InChI

InChI=1S/C22H22N2O3/c1-3-4-5-16-6-8-17(9-7-16)19-14-18(10-11-20(19)26-2)22(25)27-21-15-23-12-13-24-21/h6-15H,3-5H2,1-2H3