2-methoxyethyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: 2-methoxyethyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: 2-methoxyethyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-1-piperazinecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 3-[2-keto-2-(piperonylamino)ethyl]piperazine-1-carboxylic acid 2-methoxyethyl ester Formula: C18H25N3O6 MolecularWeight: 379.4076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)N1CCNC(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

COCCOC(=O)N1CCNC(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H25N3O6/c1-24-6-7-25-18(23)21-5-4-19-14(11-21)9-17(22)20-10-13-2-3-15-16(8-13)27-12-26-15/h2-3,8,14,19H,4-7,9-12H2,1H3,(H,20,22)