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

Systemtic Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-octanoyloxybenzoate Openeye Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-octanoyloxybenzoate CAS Name: 4-(1-oxooctoxy)benzoic acid [4-(2-methylbutoxy)-2-(2-pyrazinyl)phenyl] ester IUPAC Name: [4-(2-methylbutoxy)-2-pyrazin-2-ylphenyl] 4-octanoyloxybenzoate Traditional Name: 4-caprylyloxybenzoic acid [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] ester Formula: C30H36N2O5 MolecularWeight: 504.61724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H36N2O5/c1-4-6-7-8-9-10-29(33)36-24-13-11-23(12-14-24)30(34)37-28-16-15-25(35-21-22(3)5-2)19-26(28)27-20-31-17-18-32-27/h11-20,22H,4-10,21H2,1-3H3