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

Systemtic Name: octan-2-yl 4-(5-dodecylpyrazin-2-yl)benzoate Openeye Name: 1-methylheptyl 4-(5-dodecylpyrazin-2-yl)benzoate CAS Name: 4-(5-dodecyl-2-pyrazinyl)benzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-(5-dodecylpyrazin-2-yl)benzoate Traditional Name: 4-(5-laurylpyrazin-2-yl)benzoic acid 1-methylheptyl ester Formula: C31H48N2O2 MolecularWeight: 480.72502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)C(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)C(=O)OC(C)CCCCCC

InChI

InChI=1S/C31H48N2O2/c1-4-6-8-10-11-12-13-14-15-17-19-29-24-33-30(25-32-29)27-20-22-28(23-21-27)31(34)35-26(3)18-16-9-7-5-2/h20-26H,4-19H2,1-3H3