octan-2-yl 4-(5-heptylpyrazin-2-yl)benzoate

Systemtic Name: octan-2-yl 4-(5-heptylpyrazin-2-yl)benzoate Openeye Name: 1-methylheptyl 4-(5-heptylpyrazin-2-yl)benzoate CAS Name: 4-(5-heptyl-2-pyrazinyl)benzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-(5-heptylpyrazin-2-yl)benzoate Traditional Name: 4-(5-heptylpyrazin-2-yl)benzoic acid 1-methylheptyl ester Formula: C26H38N2O2 MolecularWeight: 410.59212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)C(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)C(=O)OC(C)CCCCCC

InChI

InChI=1S/C26H38N2O2/c1-4-6-8-10-12-14-24-19-28-25(20-27-24)22-15-17-23(18-16-22)26(29)30-21(3)13-11-9-7-5-2/h15-21H,4-14H2,1-3H3