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

Systemtic Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-decoxybenzoate Openeye Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-decoxybenzoate CAS Name: 4-decoxybenzoic acid [4-(2-methylbutoxy)-2-(2-pyrazinyl)phenyl] ester IUPAC Name: [4-(2-methylbutoxy)-2-pyrazin-2-ylphenyl] 4-decoxybenzoate Traditional Name: 4-decoxybenzoic acid [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] ester Formula: C32H42N2O4 MolecularWeight: 518.68688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

InChI

InChI=1S/C32H42N2O4/c1-4-6-7-8-9-10-11-12-21-36-27-15-13-26(14-16-27)32(35)38-31-18-17-28(37-24-25(3)5-2)22-29(31)30-23-33-19-20-34-30/h13-20,22-23,25H,4-12,21,24H2,1-3H3