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

Systemtic Name: octan-2-yl 4-(5-nonylpyrazin-2-yl)benzoate Openeye Name: 1-methylheptyl 4-(5-nonylpyrazin-2-yl)benzoate CAS Name: 4-(5-nonyl-2-pyrazinyl)benzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-(5-nonylpyrazin-2-yl)benzoate Traditional Name: 4-(5-nonylpyrazin-2-yl)benzoic acid 1-methylheptyl ester Formula: C28H42N2O2 MolecularWeight: 438.64528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)C(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)C(=O)OC(C)CCCCCC

InChI

InChI=1S/C28H42N2O2/c1-4-6-8-10-11-12-14-16-26-21-30-27(22-29-26)24-17-19-25(20-18-24)28(31)32-23(3)15-13-9-7-5-2/h17-23H,4-16H2,1-3H3