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

Systemtic Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-undecylbenzoate Openeye Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-undecylbenzoate CAS Name: 4-undecylbenzoic acid [4-(2-methylbutoxy)-2-(2-pyrazinyl)phenyl] ester IUPAC Name: [4-(2-methylbutoxy)-2-pyrazin-2-ylphenyl] 4-undecylbenzoate Traditional Name: 4-undecylbenzoic acid [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] ester Formula: C33H44N2O3 MolecularWeight: 516.71406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

Isomeric SMILES

CCCCCCCCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

InChI

InChI=1S/C33H44N2O3/c1-4-6-7-8-9-10-11-12-13-14-27-15-17-28(18-16-27)33(36)38-32-20-19-29(37-25-26(3)5-2)23-30(32)31-24-34-21-22-35-31/h15-24,26H,4-14,25H2,1-3H3