methyl 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: methyl 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: methyl 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 3-[2-(homoveratrylamino)-2-keto-ethyl]piperazine-1-carboxylic acid methyl ester Formula: C18H27N3O5 MolecularWeight: 365.42408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CC2CN(CCN2)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CC2CN(CCN2)C(=O)OC)OC

InChI

InChI=1S/C18H27N3O5/c1-24-15-5-4-13(10-16(15)25-2)6-7-20-17(22)11-14-12-21(9-8-19-14)18(23)26-3/h4-5,10,14,19H,6-9,11-12H2,1-3H3,(H,20,22)