4-(3-azanyl-2-cyano-5-methoxy-phenyl)piperazine-1-carboxylic acid

Systemtic Name: 4-(3-azanyl-2-cyano-5-methoxy-phenyl)piperazine-1-carboxylic acid Openeye Name: 4-(3-amino-2-cyano-5-methoxy-phenyl)piperazine-1-carboxylic acid CAS Name: 4-(3-amino-2-cyano-5-methoxyphenyl)-1-piperazinecarboxylic acid IUPAC Name: 4-(3-amino-2-cyano-5-methoxyphenyl)piperazine-1-carboxylic acid Traditional Name: 4-(3-amino-2-cyano-5-methoxy-phenyl)piperazine-1-carboxylic acid Formula: C13H16N4O3 MolecularWeight: 276.29114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)N2CCN(CC2)C(=O)O)C#N)N

Isomeric SMILES

COC1=CC(=C(C(=C1)N2CCN(CC2)C(=O)O)C#N)N

InChI

InChI=1S/C13H16N4O3/c1-20-9-6-11(15)10(8-14)12(7-9)16-2-4-17(5-3-16)13(18)19/h6-7H,2-5,15H2,1H3,(H,18,19)