5-[3-oxidanyl-3-oxidanylidene-2-[(phenylmethyl)amino]propyl]-1H-imidazole-2-carboxylic acid

Systemtic Name: 5-[3-oxidanyl-3-oxidanylidene-2-[(phenylmethyl)amino]propyl]-1H-imidazole-2-carboxylic acid Openeye Name: 5-[2-(benzylamino)-3-hydroxy-3-oxo-propyl]-1H-imidazole-2-carboxylic acid CAS Name: 5-[3-hydroxy-3-oxo-2-[(phenylmethyl)amino]propyl]-1H-imidazole-2-carboxylic acid IUPAC Name: 5-[2-(benzylamino)-3-hydroxy-3-oxopropyl]-1H-imidazole-2-carboxylic acid Traditional Name: 5-[2-(benzylamino)-3-hydroxy-3-keto-propyl]-1H-imidazole-2-carboxylic acid Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(CC2=CN=C(N2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(CC2=CN=C(N2)C(=O)O)C(=O)O

InChI

InChI=1S/C14H15N3O4/c18-13(19)11(15-7-9-4-2-1-3-5-9)6-10-8-16-12(17-10)14(20)21/h1-5,8,11,15H,6-7H2,(H,16,17)(H,18,19)(H,20,21)