[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate

Systemtic Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate Openeye Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [2-(homoveratrylamino)-2-keto-ethyl] ester Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C21H25NO5/c1-14-9-15(2)11-17(10-14)21(24)27-13-20(23)22-8-7-16-5-6-18(25-3)19(12-16)26-4/h5-6,9-12H,7-8,13H2,1-4H3,(H,22,23)