2-azanyl-4-(phenylmethyl)pentanedioate

Systemtic Name: 2-azanyl-4-(phenylmethyl)pentanedioate Openeye Name: 2-amino-4-benzyl-pentanedioate CAS Name: 2-amino-4-(phenylmethyl)pentanedioate IUPAC Name: 2-amino-4-benzylpentanedioate Traditional Name: 2-amino-4-benzyl-glutarate Formula: C12H13NO4-2 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(C(=O)[O-])N)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(CC(C(=O)[O-])N)C(=O)[O-]

InChI

InChI=1S/C12H15NO4/c13-10(12(16)17)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,13H2,(H,14,15)(H,16,17)/p-2