pyrazin-2-yl 2-fluoranyl-4-heptyl-5-(4-hexylphenyl)benzoate

Systemtic Name: pyrazin-2-yl 2-fluoranyl-4-heptyl-5-(4-hexylphenyl)benzoate Openeye Name: pyrazin-2-yl 2-fluoro-4-heptyl-5-(4-hexylphenyl)benzoate CAS Name: 2-fluoro-4-heptyl-5-(4-hexylphenyl)benzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 2-fluoro-4-heptyl-5-(4-hexylphenyl)benzoate Traditional Name: 2-fluoro-4-heptyl-5-(4-hexylphenyl)benzoic acid pyrazin-2-yl ester Formula: C30H37FN2O2 MolecularWeight: 476.625383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1C2=CC=C(C=C2)CCCCCC)C(=O)OC3=NC=CN=C3)F

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1C2=CC=C(C=C2)CCCCCC)C(=O)OC3=NC=CN=C3)F

InChI

InChI=1S/C30H37FN2O2/c1-3-5-7-9-11-13-25-20-28(31)27(30(34)35-29-22-32-18-19-33-29)21-26(25)24-16-14-23(15-17-24)12-10-8-6-4-2/h14-22H,3-13H2,1-2H3