ethyl 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H21N3O5/c1-2-22-16(21)19-7-5-18(6-8-19)10-15(20)17-12-3-4-13-14(9-12)24-11-23-13/h3-4,9H,2,5-8,10-11H2,1H3,(H,17,20)