2-[[2-(4-piperidin-4-ylbutoxy)phenyl]methyl]propanedioic acid

Systemtic Name: 2-[[2-(4-piperidin-4-ylbutoxy)phenyl]methyl]propanedioic acid Openeye Name: 2-[[2-[4-(4-piperidyl)butoxy]phenyl]methyl]propanedioic acid CAS Name: 2-[[2-[4-(4-piperidinyl)butoxy]phenyl]methyl]propanedioic acid IUPAC Name: 2-[[2-(4-piperidin-4-ylbutoxy)phenyl]methyl]propanedioic acid Traditional Name: 2-[2-[4-(4-piperidyl)butoxy]benzyl]malonic acid Formula: C19H27NO5 MolecularWeight: 349.42138

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCCCOC2=CC=CC=C2CC(C(=O)O)C(=O)O

Isomeric SMILES

C1CNCCC1CCCCOC2=CC=CC=C2CC(C(=O)O)C(=O)O

InChI

InChI=1S/C19H27NO5/c21-18(22)16(19(23)24)13-15-6-1-2-7-17(15)25-12-4-3-5-14-8-10-20-11-9-14/h1-2,6-7,14,16,20H,3-5,8-13H2,(H,21,22)(H,23,24)