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

Systemtic Name: pyrazin-2-yl 3-(4-butylphenyl)-4-nonyl-benzoate Openeye Name: pyrazin-2-yl 3-(4-butylphenyl)-4-nonyl-benzoate CAS Name: 3-(4-butylphenyl)-4-nonylbenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 3-(4-butylphenyl)-4-nonylbenzoate Traditional Name: 3-(4-butylphenyl)-4-nonyl-benzoic acid pyrazin-2-yl ester Formula: C30H38N2O2 MolecularWeight: 458.63492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38N2O2/c1-3-5-7-8-9-10-11-13-25-18-19-27(30(33)34-29-23-31-20-21-32-29)22-28(25)26-16-14-24(15-17-26)12-6-4-2/h14-23H,3-13H2,1-2H3