(phenylmethyl) 3-[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: benzyl 3-[2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 3-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 3-[2-keto-2-(p-anisylamino)ethyl]piperazine-1-carboxylic acid benzyl ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4/c1-28-20-9-7-17(8-10-20)14-24-21(26)13-19-15-25(12-11-23-19)22(27)29-16-18-5-3-2-4-6-18/h2-10,19,23H,11-16H2,1H3,(H,24,26)