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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)C(=O)OC2=NC=CN=C2)C3=CC=C(C=C3)CCCC

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)C(=O)OC2=NC=CN=C2)C3=CC=C(C=C3)CCCC

InChI

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