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

Systemtic Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-propoxybenzoate Openeye Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-propoxybenzoate CAS Name: 4-propoxybenzoic acid [4-(2-methylbutoxy)-2-(2-pyrazinyl)phenyl] ester IUPAC Name: [4-(2-methylbutoxy)-2-pyrazin-2-ylphenyl] 4-propoxybenzoate Traditional Name: 4-propoxybenzoic acid [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

InChI

InChI=1S/C25H28N2O4/c1-4-14-29-20-8-6-19(7-9-20)25(28)31-24-11-10-21(30-17-18(3)5-2)15-22(24)23-16-26-12-13-27-23/h6-13,15-16,18H,4-5,14,17H2,1-3H3