[4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-hexanoyloxybenzoate

Systemtic Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-hexanoyloxybenzoate Openeye Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-hexanoyloxybenzoate CAS Name: 4-(1-oxohexoxy)benzoic acid [4-(2-methylbutoxy)-2-(2-pyrazinyl)phenyl] ester IUPAC Name: [4-(2-methylbutoxy)-2-pyrazin-2-ylphenyl] 4-hexanoyloxybenzoate Traditional Name: 4-caproyloxybenzoic acid [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] ester Formula: C28H32N2O5 MolecularWeight: 476.56408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

Isomeric SMILES

CCCCCC(=O)OC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

InChI

InChI=1S/C28H32N2O5/c1-4-6-7-8-27(31)34-22-11-9-21(10-12-22)28(32)35-26-14-13-23(33-19-20(3)5-2)17-24(26)25-18-29-15-16-30-25/h9-18,20H,4-8,19H2,1-3H3