5-[(3-cyanophenyl)methylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(3-cyanophenyl)methylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(3-cyanophenyl)methylamino]-5-oxo-pentanoic acid CAS Name: 5-[(3-cyanophenyl)methylamino]-5-oxopentanoic acid IUPAC Name: 5-[(3-cyanophenyl)methylamino]-5-oxopentanoic acid Traditional Name: 5-[(3-cyanobenzyl)amino]-5-keto-valeric acid Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNC(=O)CCCC(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)CNC(=O)CCCC(=O)O)C#N

InChI

InChI=1S/C13H14N2O3/c14-8-10-3-1-4-11(7-10)9-15-12(16)5-2-6-13(17)18/h1,3-4,7H,2,5-6,9H2,(H,15,16)(H,17,18)