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

Systemtic Name: pyrazin-2-yl 4-butyl-3-(4-hexylphenyl)benzoate Openeye Name: pyrazin-2-yl 4-butyl-3-(4-hexylphenyl)benzoate CAS Name: 4-butyl-3-(4-hexylphenyl)benzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 4-butyl-3-(4-hexylphenyl)benzoate Traditional Name: 4-butyl-3-(4-hexylphenyl)benzoic acid pyrazin-2-yl ester Formula: C27H32N2O2 MolecularWeight: 416.55518

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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)CCCC

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O2/c1-3-5-7-8-9-21-11-13-23(14-12-21)25-19-24(16-15-22(25)10-6-4-2)27(30)31-26-20-28-17-18-29-26/h11-20H,3-10H2,1-2H3