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

Systemtic Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-propylbenzoate Openeye Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-propylbenzoate CAS Name: 4-propylbenzoic acid [4-(2-methylbutoxy)-2-(2-pyrazinyl)phenyl] ester IUPAC Name: [4-(2-methylbutoxy)-2-pyrazin-2-ylphenyl] 4-propylbenzoate Traditional Name: 4-propylbenzoic acid [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] ester Formula: C25H28N2O3 MolecularWeight: 404.50142

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

InChI

InChI=1S/C25H28N2O3/c1-4-6-19-7-9-20(10-8-19)25(28)30-24-12-11-21(29-17-18(3)5-2)15-22(24)23-16-26-13-14-27-23/h7-16,18H,4-6,17H2,1-3H3