2-(phenylmethyl)-2-(piperidin-1-ylmethyl)propanedioic acid

Systemtic Name: 2-(phenylmethyl)-2-(piperidin-1-ylmethyl)propanedioic acid Openeye Name: 2-benzyl-2-(1-piperidylmethyl)propanedioic acid CAS Name: 2-(phenylmethyl)-2-(1-piperidinylmethyl)propanedioic acid IUPAC Name: 2-benzyl-2-(piperidin-1-ylmethyl)propanedioic acid Traditional Name: 2-benzyl-2-(piperidinomethyl)malonic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(CC2=CC=CC=C2)(C(=O)O)C(=O)O

Isomeric SMILES

C1CCN(CC1)CC(CC2=CC=CC=C2)(C(=O)O)C(=O)O

InChI

InChI=1S/C16H21NO4/c18-14(19)16(15(20)21,11-13-7-3-1-4-8-13)12-17-9-5-2-6-10-17/h1,3-4,7-8H,2,5-6,9-12H2,(H,18,19)(H,20,21)