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

Systemtic Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-decanoyloxybenzoate Openeye Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-decanoyloxybenzoate CAS Name: 4-(1-oxodecoxy)benzoic acid [4-(2-methylbutoxy)-2-(2-pyrazinyl)phenyl] ester IUPAC Name: [4-(2-methylbutoxy)-2-pyrazin-2-ylphenyl] 4-decanoyloxybenzoate Traditional Name: 4-capryloxybenzoic acid [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] ester Formula: C32H40N2O5 MolecularWeight: 532.6704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H40N2O5/c1-4-6-7-8-9-10-11-12-31(35)38-26-15-13-25(14-16-26)32(36)39-30-18-17-27(37-23-24(3)5-2)21-28(30)29-22-33-19-20-34-29/h13-22,24H,4-12,23H2,1-3H3