(2S)-2-[(4-aminophenyl)methyl]pentanedioate

Systemtic Name: (2S)-2-[(4-aminophenyl)methyl]pentanedioate Openeye Name: (2S)-2-[(4-aminophenyl)methyl]pentanedioate CAS Name: (2S)-2-[(4-aminophenyl)methyl]pentanedioate IUPAC Name: (2S)-2-[(4-aminophenyl)methyl]pentanedioate Traditional Name: (2S)-2-(4-aminobenzyl)glutarate Formula: C12H13NO4-2 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CCC(=O)[O-])C(=O)[O-])N

Isomeric SMILES

C1=CC(=CC=C1C[C@H](CCC(=O)[O-])C(=O)[O-])N

InChI

InChI=1S/C12H15NO4/c13-10-4-1-8(2-5-10)7-9(12(16)17)3-6-11(14)15/h1-2,4-5,9H,3,6-7,13H2,(H,14,15)(H,16,17)/p-2/t9-/m0/s1