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

Systemtic Name: 2-[4-[(3-cyanophenyl)carbamoyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[(3-cyanophenyl)carbamoyl]piperazin-1-yl]acetic acid CAS Name: 2-[4-[(3-cyanoanilino)-oxomethyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[(3-cyanophenyl)carbamoyl]piperazin-1-yl]acetic acid Traditional Name: 2-[4-[(3-cyanophenyl)carbamoyl]piperazino]acetic acid Formula: C14H16N4O3 MolecularWeight: 288.30184

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)O)C(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

C1CN(CCN1CC(=O)O)C(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C14H16N4O3/c15-9-11-2-1-3-12(8-11)16-14(21)18-6-4-17(5-7-18)10-13(19)20/h1-3,8H,4-7,10H2,(H,16,21)(H,19,20)