[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-butoxy-3-ethoxy-benzoate

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 4-butoxy-3-ethoxy-benzoate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-benzoic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C25H33NO7 MolecularWeight: 459.53202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC)OCC

InChI

InChI=1S/C25H33NO7/c1-5-7-14-32-21-11-9-19(16-23(21)31-6-2)25(28)33-17-24(27)26-13-12-18-8-10-20(29-3)22(15-18)30-4/h8-11,15-16H,5-7,12-14,17H2,1-4H3,(H,26,27)