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

Systemtic Name: octan-2-yl 4-(5-decylpyrazin-2-yl)benzoate Openeye Name: 1-methylheptyl 4-(5-decylpyrazin-2-yl)benzoate CAS Name: 4-(5-decyl-2-pyrazinyl)benzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-(5-decylpyrazin-2-yl)benzoate Traditional Name: 4-(5-decylpyrazin-2-yl)benzoic acid 1-methylheptyl ester Formula: C29H44N2O2 MolecularWeight: 452.67186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)C(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)C(=O)OC(C)CCCCCC

InChI

InChI=1S/C29H44N2O2/c1-4-6-8-10-11-12-13-15-17-27-22-31-28(23-30-27)25-18-20-26(21-19-25)29(32)33-24(3)16-14-9-7-5-2/h18-24H,4-17H2,1-3H3