3-[4-[(2-cyanophenyl)methyl]piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[(2-cyanophenyl)methyl]piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[(2-cyanophenyl)methyl]piperazin-1-yl]propanoic acid CAS Name: 3-[4-[(2-cyanophenyl)methyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[(2-cyanophenyl)methyl]piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(2-cyanobenzyl)piperazino]propionic acid Formula: C15H19N3O2 MolecularWeight: 273.33026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)O)CC2=CC=CC=C2C#N

Isomeric SMILES

C1CN(CCN1CCC(=O)O)CC2=CC=CC=C2C#N

InChI

InChI=1S/C15H19N3O2/c16-11-13-3-1-2-4-14(13)12-18-9-7-17(8-10-18)6-5-15(19)20/h1-4H,5-10,12H2,(H,19,20)