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

Systemtic Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-butanoyloxybenzoate Openeye Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-butanoyloxybenzoate CAS Name: 4-(1-oxobutoxy)benzoic acid [4-(2-methylbutoxy)-2-(2-pyrazinyl)phenyl] ester IUPAC Name: [4-(2-methylbutoxy)-2-pyrazin-2-ylphenyl] 4-butanoyloxybenzoate Traditional Name: 4-butyryloxybenzoic acid [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] ester Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28N2O5/c1-4-6-25(29)32-20-9-7-19(8-10-20)26(30)33-24-12-11-21(31-17-18(3)5-2)15-22(24)23-16-27-13-14-28-23/h7-16,18H,4-6,17H2,1-3H3