[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4-phenoxybutanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 4-phenoxybutanoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 4-phenoxybutanoate CAS Name: 4-phenoxybutanoic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 4-phenoxybutanoate Traditional Name: 4-phenoxybutyric acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)COC(=O)CCCOC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)COC(=O)CCCOC2=CC=CC=C2)OC

InChI

InChI=1S/C21H25NO6/c1-25-18-11-10-16(13-19(18)26-2)14-22-20(23)15-28-21(24)9-6-12-27-17-7-4-3-5-8-17/h3-5,7-8,10-11,13H,6,9,12,14-15H2,1-2H3,(H,22,23)