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

Systemtic Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-butoxybenzoate Openeye Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [4-(2-methylbutoxy)-2-(2-pyrazinyl)phenyl] ester IUPAC Name: [4-(2-methylbutoxy)-2-pyrazin-2-ylphenyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] ester Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

InChI

InChI=1S/C26H30N2O4/c1-4-6-15-30-21-9-7-20(8-10-21)26(29)32-25-12-11-22(31-18-19(3)5-2)16-23(25)24-17-27-13-14-28-24/h7-14,16-17,19H,4-6,15,18H2,1-3H3