pyrazin-2-yl 4-nonyl-3-(4-propylphenyl)benzoate

Systemtic Name: pyrazin-2-yl 4-nonyl-3-(4-propylphenyl)benzoate Openeye Name: pyrazin-2-yl 4-nonyl-3-(4-propylphenyl)benzoate CAS Name: 4-nonyl-3-(4-propylphenyl)benzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 4-nonyl-3-(4-propylphenyl)benzoate Traditional Name: 4-nonyl-3-(4-propylphenyl)benzoic acid pyrazin-2-yl ester Formula: C29H36N2O2 MolecularWeight: 444.60834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=NC=CN=C2)C3=CC=C(C=C3)CCC

Isomeric SMILES

CCCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=NC=CN=C2)C3=CC=C(C=C3)CCC

InChI

InChI=1S/C29H36N2O2/c1-3-5-6-7-8-9-10-12-24-17-18-26(29(32)33-28-22-30-19-20-31-28)21-27(24)25-15-13-23(11-4-2)14-16-25/h13-22H,3-12H2,1-2H3