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

Systemtic Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-hexoxybenzoate Openeye Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic acid [4-(2-methylbutoxy)-2-(2-pyrazinyl)phenyl] ester IUPAC Name: [4-(2-methylbutoxy)-2-pyrazin-2-ylphenyl] 4-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] ester Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

InChI

InChI=1S/C28H34N2O4/c1-4-6-7-8-17-32-23-11-9-22(10-12-23)28(31)34-27-14-13-24(33-20-21(3)5-2)18-25(27)26-19-29-15-16-30-26/h9-16,18-19,21H,4-8,17,20H2,1-3H3