7-cyclopentylheptyl 4-(5-octylpyrazin-2-yl)benzoate

Systemtic Name: 7-cyclopentylheptyl 4-(5-octylpyrazin-2-yl)benzoate Openeye Name: 7-cyclopentylheptyl 4-(5-octylpyrazin-2-yl)benzoate CAS Name: 4-(5-octyl-2-pyrazinyl)benzoic acid 7-cyclopentylheptyl ester IUPAC Name: 7-cyclopentylheptyl 4-(5-octylpyrazin-2-yl)benzoate Traditional Name: 4-(5-octylpyrazin-2-yl)benzoic acid 7-cyclopentylheptyl ester Formula: C31H46N2O2 MolecularWeight: 478.70914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)C(=O)OCCCCCCCC3CCCC3

Isomeric SMILES

CCCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)C(=O)OCCCCCCCC3CCCC3

InChI

InChI=1S/C31H46N2O2/c1-2-3-4-5-8-11-18-29-24-33-30(25-32-29)27-19-21-28(22-20-27)31(34)35-23-14-9-6-7-10-15-26-16-12-13-17-26/h19-22,24-26H,2-18,23H2,1H3