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

Systemtic Name: octan-2-yl 4-(5-octylpyrazin-2-yl)benzoate Openeye Name: 1-methylheptyl 4-(5-octylpyrazin-2-yl)benzoate CAS Name: 4-(5-octyl-2-pyrazinyl)benzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-(5-octylpyrazin-2-yl)benzoate Traditional Name: 4-(5-octylpyrazin-2-yl)benzoic acid 1-methylheptyl ester Formula: C27H40N2O2 MolecularWeight: 424.6187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)C(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)C(=O)OC(C)CCCCCC

InChI

InChI=1S/C27H40N2O2/c1-4-6-8-10-11-13-15-25-20-29-26(21-28-25)23-16-18-24(19-17-23)27(30)31-22(3)14-12-9-7-5-2/h16-22H,4-15H2,1-3H3