[4-butoxy-2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxycarbonyl]phenyl] 5-heptylpyrimidine-2-carboxylate

Systemtic Name: [4-butoxy-2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxycarbonyl]phenyl] 5-heptylpyrimidine-2-carboxylate Openeye Name: [4-butoxy-2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxycarbonyl]phenyl] 5-heptylpyrimidine-2-carboxylate CAS Name: 5-heptyl-2-pyrimidinecarboxylic acid [4-butoxy-2-[oxo-[2-[2-[2-(1-oxoprop-2-enoxy)ethoxy]ethoxy]ethoxy]methyl]phenyl] ester IUPAC Name: [4-butoxy-2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxycarbonyl]phenyl] 5-heptylpyrimidine-2-carboxylate Traditional Name: 5-heptylpyrimidine-2-carboxylic acid [2-[2-[2-(2-acryloyloxyethoxy)ethoxy]ethoxycarbonyl]-4-butoxy-phenyl] ester Formula: C32H44N2O9 MolecularWeight: 600.69976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C(=O)OC2=C(C=C(C=C2)OCCCC)C(=O)OCCOCCOCCOC(=O)C=C

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C(=O)OC2=C(C=C(C=C2)OCCCC)C(=O)OCCOCCOCCOC(=O)C=C

InChI

InChI=1S/C32H44N2O9/c1-4-7-9-10-11-12-25-23-33-30(34-24-25)32(37)43-28-14-13-26(40-15-8-5-2)22-27(28)31(36)42-21-19-39-17-16-38-18-20-41-29(35)6-3/h6,13-14,22-24H,3-5,7-12,15-21H2,1-2H3