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

Systemtic Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-nonanoyloxybenzoate Openeye Name: [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] 4-nonanoyloxybenzoate CAS Name: 4-(1-oxononoxy)benzoic acid [4-(2-methylbutoxy)-2-(2-pyrazinyl)phenyl] ester IUPAC Name: [4-(2-methylbutoxy)-2-pyrazin-2-ylphenyl] 4-nonanoyloxybenzoate Traditional Name: 4-pelargonyloxybenzoic acid [4-(2-methylbutoxy)-2-pyrazin-2-yl-phenyl] ester Formula: C31H38N2O5 MolecularWeight: 518.64382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

Isomeric SMILES

CCCCCCCCC(=O)OC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)OCC(C)CC)C3=NC=CN=C3

InChI

InChI=1S/C31H38N2O5/c1-4-6-7-8-9-10-11-30(34)37-25-14-12-24(13-15-25)31(35)38-29-17-16-26(36-22-23(3)5-2)20-27(29)28-21-32-18-19-33-28/h12-21,23H,4-11,22H2,1-3H3