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

Systemtic Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-dodecylbenzoate Openeye Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-dodecylbenzoate CAS Name: 4-dodecylbenzoic acid [4-(2-methylbutoxy)-2-(2-pyrazinyl)phenyl] ester IUPAC Name: [4-(2-methylbutoxy)-2-pyrazin-2-ylphenyl] 4-dodecylbenzoate Traditional Name: 4-laurylbenzoic acid [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] ester Formula: C34H46N2O3 MolecularWeight: 530.74064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

InChI

InChI=1S/C34H46N2O3/c1-4-6-7-8-9-10-11-12-13-14-15-28-16-18-29(19-17-28)34(37)39-33-21-20-30(38-26-27(3)5-2)24-31(33)32-25-35-22-23-36-32/h16-25,27H,4-15,26H2,1-3H3