tert-butyl 6-[2-ethoxy-5-(4-ethoxyphenyl)carbonyl-phenyl]hexanoate

Systemtic Name: tert-butyl 6-[2-ethoxy-5-(4-ethoxyphenyl)carbonyl-phenyl]hexanoate Openeye Name: tert-butyl 6-[2-ethoxy-5-(4-ethoxybenzoyl)phenyl]hexanoate CAS Name: 6-[2-ethoxy-5-[(4-ethoxyphenyl)-oxomethyl]phenyl]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 6-[2-ethoxy-5-(4-ethoxybenzoyl)phenyl]hexanoate Traditional Name: 6-[2-ethoxy-5-(4-ethoxybenzoyl)phenyl]hexanoic acid tert-butyl ester Formula: C27H36O5 MolecularWeight: 444.542359

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)OCC)CCCCCC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)CCCCCC1=C(C=CC(=C1)C(=O)C2=CC=C(C=C2)O[13CH2][13CH3])O[13CH2][13CH3]

InChI

InChI=1S/C27H36O5/c1-6-30-23-16-13-20(14-17-23)26(29)22-15-18-24(31-7-2)21(19-22)11-9-8-10-12-25(28)32-27(3,4)5/h13-19H,6-12H2,1-5H3/i1+1,2+1,6+1,7+1