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

Systemtic Name: pyrazin-2-yl 4-butoxy-3-(4-hexylphenyl)benzoate Openeye Name: pyrazin-2-yl 4-butoxy-3-(4-hexylphenyl)benzoate CAS Name: 4-butoxy-3-(4-hexylphenyl)benzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 4-butoxy-3-(4-hexylphenyl)benzoate Traditional Name: 4-butoxy-3-(4-hexylphenyl)benzoic acid pyrazin-2-yl ester Formula: C27H32N2O3 MolecularWeight: 432.55458

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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)OCCCC

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O3/c1-3-5-7-8-9-21-10-12-22(13-11-21)24-19-23(14-15-25(24)31-18-6-4-2)27(30)32-26-20-28-16-17-29-26/h10-17,19-20H,3-9,18H2,1-2H3