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

Systemtic Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-nonylbenzoate Openeye Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-nonylbenzoate CAS Name: 4-nonylbenzoic acid [4-(2-methylbutoxy)-2-(2-pyrazinyl)phenyl] ester IUPAC Name: [4-(2-methylbutoxy)-2-pyrazin-2-ylphenyl] 4-nonylbenzoate Traditional Name: 4-nonylbenzoic acid [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] ester Formula: C31H40N2O3 MolecularWeight: 488.6609

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

InChI

InChI=1S/C31H40N2O3/c1-4-6-7-8-9-10-11-12-25-13-15-26(16-14-25)31(34)36-30-18-17-27(35-23-24(3)5-2)21-28(30)29-22-32-19-20-33-29/h13-22,24H,4-12,23H2,1-3H3