2-[4-(aminomethyl)phenyl]carbonyl-2-azanyl-pentanedioic acid

Systemtic Name: 2-[4-(aminomethyl)phenyl]carbonyl-2-azanyl-pentanedioic acid Openeye Name: 2-amino-2-[4-(aminomethyl)benzoyl]pentanedioic acid CAS Name: 2-amino-2-[[4-(aminomethyl)phenyl]-oxomethyl]pentanedioic acid IUPAC Name: 2-amino-2-[4-(aminomethyl)benzoyl]pentanedioic acid Traditional Name: 2-amino-2-[4-(aminomethyl)benzoyl]glutaric acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN)C(=O)C(CCC(=O)O)(C(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1CN)C(=O)C(CCC(=O)O)(C(=O)O)N

InChI

InChI=1S/C13H16N2O5/c14-7-8-1-3-9(4-2-8)11(18)13(15,12(19)20)6-5-10(16)17/h1-4H,5-7,14-15H2,(H,16,17)(H,19,20)