methyl 3-[4-(1,3-benzodioxol-5-ylmethyl)-2-(methylcarbamoyl)piperazin-1-yl]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[4-(1,3-benzodioxol-5-ylmethyl)-2-(methylcarbamoyl)piperazin-1-yl]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[4-(1,3-benzodioxol-5-ylmethyl)-2-(methylcarbamoyl)piperazin-1-yl]-3-oxo-propanoate CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-2-(methylcarbamoyl)-1-piperazinyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[4-(1,3-benzodioxol-5-ylmethyl)-2-(methylcarbamoyl)piperazin-1-yl]-3-oxopropanoate Traditional Name: 3-keto-3-[2-(methylcarbamoyl)-4-piperonyl-piperazino]propionic acid methyl ester Formula: C18H23N3O6 MolecularWeight: 377.39172

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(CCN1C(=O)CC(=O)OC)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CNC(=O)C1CN(CCN1C(=O)CC(=O)OC)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H23N3O6/c1-19-18(24)13-10-20(5-6-21(13)16(22)8-17(23)25-2)9-12-3-4-14-15(7-12)27-11-26-14/h3-4,7,13H,5-6,8-11H2,1-2H3,(H,19,24)