[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 1-oxidanylnaphthalene-2-carboxylate

Systemtic Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 1-oxidanylnaphthalene-2-carboxylate Openeye Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl] 1-hydroxynaphthalene-2-carboxylate CAS Name: 1-hydroxy-2-naphthalenecarboxylic acid [2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate Traditional Name: 1-hydroxynaphthalene-2-carboxylic acid [2-keto-2-(4-piperonylpiperazino)ethyl] ester Formula: C25H24N2O6 MolecularWeight: 448.46786

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC(=O)C4=C(C5=CC=CC=C5C=C4)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC(=O)C4=C(C5=CC=CC=C5C=C4)O

InChI

InChI=1S/C25H24N2O6/c28-23(15-31-25(30)20-7-6-18-3-1-2-4-19(18)24(20)29)27-11-9-26(10-12-27)14-17-5-8-21-22(13-17)33-16-32-21/h1-8,13,29H,9-12,14-16H2