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

Systemtic Name: 2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[(3-cyanophenyl)methyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-(3-cyanobenzyl)piperazino]acetic acid Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O2/c15-9-12-2-1-3-13(8-12)10-16-4-6-17(7-5-16)11-14(18)19/h1-3,8H,4-7,10-11H2,(H,18,19)