4-[(3-cyanophenyl)methyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[(3-cyanophenyl)methyl]piperazine-1-carboxylic acid Openeye Name: 4-[(3-cyanophenyl)methyl]piperazine-1-carboxylic acid CAS Name: 4-[(3-cyanophenyl)methyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[(3-cyanophenyl)methyl]piperazine-1-carboxylic acid Traditional Name: 4-(3-cyanobenzyl)piperazine-1-carboxylic acid Formula: C13H15N3O2 MolecularWeight: 245.2771

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC(=C2)C#N)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=C2)C#N)C(=O)O

InChI

InChI=1S/C13H15N3O2/c14-9-11-2-1-3-12(8-11)10-15-4-6-16(7-5-15)13(17)18/h1-3,8H,4-7,10H2,(H,17,18)