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

Systemtic Name: pyrazin-2-yl 4-heptyl-3-(4-hexylphenyl)benzoate Openeye Name: pyrazin-2-yl 4-heptyl-3-(4-hexylphenyl)benzoate CAS Name: 4-heptyl-3-(4-hexylphenyl)benzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 4-heptyl-3-(4-hexylphenyl)benzoate Traditional Name: 4-heptyl-3-(4-hexylphenyl)benzoic acid pyrazin-2-yl ester Formula: C30H38N2O2 MolecularWeight: 458.63492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=C(C=C1)C(=O)OC2=NC=CN=C2)C3=CC=C(C=C3)CCCCCC

Isomeric SMILES

CCCCCCCC1=C(C=C(C=C1)C(=O)OC2=NC=CN=C2)C3=CC=C(C=C3)CCCCCC

InChI

InChI=1S/C30H38N2O2/c1-3-5-7-9-11-13-25-18-19-27(30(33)34-29-23-31-20-21-32-29)22-28(25)26-16-14-24(15-17-26)12-10-8-6-4-2/h14-23H,3-13H2,1-2H3