2-(phenylmethyl)-2-(2-pyrrolidin-1-ylethyl)propanedioic acid

Systemtic Name: 2-(phenylmethyl)-2-(2-pyrrolidin-1-ylethyl)propanedioic acid Openeye Name: 2-benzyl-2-(2-pyrrolidin-1-ylethyl)propanedioic acid CAS Name: 2-(phenylmethyl)-2-[2-(1-pyrrolidinyl)ethyl]propanedioic acid IUPAC Name: 2-benzyl-2-(2-pyrrolidin-1-ylethyl)propanedioic acid Traditional Name: 2-benzyl-2-(2-pyrrolidinoethyl)malonic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCC(CC2=CC=CC=C2)(C(=O)O)C(=O)O

Isomeric SMILES

C1CCN(C1)CCC(CC2=CC=CC=C2)(C(=O)O)C(=O)O

InChI

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