ethyl 2-[[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]amino]-2-oxidanylidene-ethanoate

Systemtic Name: ethyl 2-[[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]amino]-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-[[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]amino]-2-oxo-acetate CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazinyl)ethyl]amino]-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]amino]-2-oxoacetate Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazino)ethyl]amino]-2-keto-acetic acid ethyl ester Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)NCC(C1=CC2=C(C=C1)OCO2)N3CCN(CC3)C

Isomeric SMILES

CCOC(=O)C(=O)NCC(C1=CC2=C(C=C1)OCO2)N3CCN(CC3)C

InChI

InChI=1S/C18H25N3O5/c1-3-24-18(23)17(22)19-11-14(21-8-6-20(2)7-9-21)13-4-5-15-16(10-13)26-12-25-15/h4-5,10,14H,3,6-9,11-12H2,1-2H3,(H,19,22)