(phenylmethyl) 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: benzyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-2-keto-ethyl]piperazine-1-carboxylic acid benzyl ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CC(=O)NCC2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)CC(=O)NCC2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O5/c27-22(25-14-18-6-7-20-21(12-18)30-11-10-29-20)13-19-15-26(9-8-24-19)23(28)31-16-17-4-2-1-3-5-17/h1-7,12,19,24H,8-11,13-16H2,(H,25,27)