5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3,3-dimethyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3,3-dimethyl-5-oxidanylidene-pentanoic acid Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3,3-dimethyl-5-oxo-pentanoic acid CAS Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3,3-dimethyl-5-oxopentanoic acid IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoic acid Traditional Name: 5-keto-3,3-dimethyl-5-(4-piperonylpiperazino)valeric acid Formula: C19H26N2O5 MolecularWeight: 362.42014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)CC(=O)O

Isomeric SMILES

CC(C)(CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)CC(=O)O

InChI

InChI=1S/C19H26N2O5/c1-19(2,11-18(23)24)10-17(22)21-7-5-20(6-8-21)12-14-3-4-15-16(9-14)26-13-25-15/h3-4,9H,5-8,10-13H2,1-2H3,(H,23,24)