hexyl 2-cyclopentyl-4-(5-nonylpyrazin-2-yl)benzoate

Systemtic Name: hexyl 2-cyclopentyl-4-(5-nonylpyrazin-2-yl)benzoate Openeye Name: hexyl 2-cyclopentyl-4-(5-nonylpyrazin-2-yl)benzoate CAS Name: 2-cyclopentyl-4-(5-nonyl-2-pyrazinyl)benzoic acid hexyl ester IUPAC Name: hexyl 2-cyclopentyl-4-(5-nonylpyrazin-2-yl)benzoate Traditional Name: 2-cyclopentyl-4-(5-nonylpyrazin-2-yl)benzoic acid hexyl ester Formula: C31H46N2O2 MolecularWeight: 478.70914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=NC=C(N=C1)C2=CC(=C(C=C2)C(=O)OCCCCCC)C3CCCC3

Isomeric SMILES

CCCCCCCCCC1=NC=C(N=C1)C2=CC(=C(C=C2)C(=O)OCCCCCC)C3CCCC3

InChI

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