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

Systemtic Name: (phenylmethyl) 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 3-[2-(homoveratrylamino)-2-keto-ethyl]piperazine-1-carboxylic acid benzyl ester Formula: C24H31N3O5 MolecularWeight: 441.52004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CC2CN(CCN2)C(=O)OCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CC2CN(CCN2)C(=O)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C24H31N3O5/c1-30-21-9-8-18(14-22(21)31-2)10-11-26-23(28)15-20-16-27(13-12-25-20)24(29)32-17-19-6-4-3-5-7-19/h3-9,14,20,25H,10-13,15-17H2,1-2H3,(H,26,28)