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

Systemtic Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-dodecoxybenzoate Openeye Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-dodecoxybenzoate CAS Name: 4-dodecoxybenzoic acid [4-(2-methylbutoxy)-2-(2-pyrazinyl)phenyl] ester IUPAC Name: [4-(2-methylbutoxy)-2-pyrazin-2-ylphenyl] 4-dodecoxybenzoate Traditional Name: 4-lauryloxybenzoic acid [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] ester Formula: C34H46N2O4 MolecularWeight: 546.74004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

InChI

InChI=1S/C34H46N2O4/c1-4-6-7-8-9-10-11-12-13-14-23-38-29-17-15-28(16-18-29)34(37)40-33-20-19-30(39-26-27(3)5-2)24-31(33)32-25-35-21-22-36-32/h15-22,24-25,27H,4-14,23,26H2,1-3H3