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

Systemtic Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-octoxybenzoate Openeye Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-octoxybenzoate CAS Name: 4-octoxybenzoic acid [4-(2-methylbutoxy)-2-(2-pyrazinyl)phenyl] ester IUPAC Name: [4-(2-methylbutoxy)-2-pyrazin-2-ylphenyl] 4-octoxybenzoate Traditional Name: 4-octoxybenzoic acid [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] ester Formula: C30H38N2O4 MolecularWeight: 490.63372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

InChI

InChI=1S/C30H38N2O4/c1-4-6-7-8-9-10-19-34-25-13-11-24(12-14-25)30(33)36-29-16-15-26(35-22-23(3)5-2)20-27(29)28-21-31-17-18-32-28/h11-18,20-21,23H,4-10,19,22H2,1-3H3