[2-(2-octoxy-4-pyrazin-2-yl-phenyl)phenyl] 2,6-dimethylheptanoate

Systemtic Name: [2-(2-octoxy-4-pyrazin-2-yl-phenyl)phenyl] 2,6-dimethylheptanoate Openeye Name: [2-(2-octoxy-4-pyrazin-2-yl-phenyl)phenyl] 2,6-dimethylheptanoate CAS Name: 2,6-dimethylheptanoic acid [2-[2-octoxy-4-(2-pyrazinyl)phenyl]phenyl] ester IUPAC Name: [2-(2-octoxy-4-pyrazin-2-ylphenyl)phenyl] 2,6-dimethylheptanoate Traditional Name: 2,6-dimethylenanthic acid [2-(2-octoxy-4-pyrazin-2-yl-phenyl)phenyl] ester Formula: C33H44N2O3 MolecularWeight: 516.71406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=CC(=C1)C2=NC=CN=C2)C3=CC=CC=C3OC(=O)C(C)CCCC(C)C

Isomeric SMILES

CCCCCCCCOC1=C(C=CC(=C1)C2=NC=CN=C2)C3=CC=CC=C3OC(=O)C(C)CCCC(C)C

InChI

InChI=1S/C33H44N2O3/c1-5-6-7-8-9-12-22-37-32-23-27(30-24-34-20-21-35-30)18-19-29(32)28-16-10-11-17-31(28)38-33(36)26(4)15-13-14-25(2)3/h10-11,16-21,23-26H,5-9,12-15,22H2,1-4H3