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

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

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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)OCCCC

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O3/c1-3-5-7-19-8-10-20(11-9-19)22-17-21(12-13-23(22)29-16-6-4-2)25(28)30-24-18-26-14-15-27-24/h8-15,17-18H,3-7,16H2,1-2H3