2-[[1-(phenylmethyl)piperidin-4-yl]methyl]propanedioic acid

Systemtic Name: 2-[[1-(phenylmethyl)piperidin-4-yl]methyl]propanedioic acid Openeye Name: 2-[(1-benzyl-4-piperidyl)methyl]propanedioic acid CAS Name: 2-[[1-(phenylmethyl)-4-piperidinyl]methyl]propanedioic acid IUPAC Name: 2-[(1-benzylpiperidin-4-yl)methyl]propanedioic acid Traditional Name: 2-[(1-benzyl-4-piperidyl)methyl]malonic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC(C(=O)O)C(=O)O)CC2=CC=CC=C2

Isomeric SMILES

C1CN(CCC1CC(C(=O)O)C(=O)O)CC2=CC=CC=C2

InChI

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