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

Systemtic Name: octan-2-yl 4-(5-undecylpyrazin-2-yl)benzoate Openeye Name: 1-methylheptyl 4-(5-undecylpyrazin-2-yl)benzoate CAS Name: 4-(5-undecyl-2-pyrazinyl)benzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-(5-undecylpyrazin-2-yl)benzoate Traditional Name: 4-(5-undecylpyrazin-2-yl)benzoic acid 1-methylheptyl ester Formula: C30H46N2O2 MolecularWeight: 466.69844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)C(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)C(=O)OC(C)CCCCCC

InChI

InChI=1S/C30H46N2O2/c1-4-6-8-10-11-12-13-14-16-18-28-23-32-29(24-31-28)26-19-21-27(22-20-26)30(33)34-25(3)17-15-9-7-5-2/h19-25H,4-18H2,1-3H3