4-[(5-azanyl-2-carboxy-5-oxidanylidene-2-phenoxy-pentanoyl)oxymethyl]benzoic acid

Systemtic Name: 4-[(5-azanyl-2-carboxy-5-oxidanylidene-2-phenoxy-pentanoyl)oxymethyl]benzoic acid Openeye Name: 4-[(5-amino-2-carboxy-5-oxo-2-phenoxy-pentanoyl)oxymethyl]benzoic acid CAS Name: 4-[(5-amino-2-carboxy-1,5-dioxo-2-phenoxypentoxy)methyl]benzoic acid IUPAC Name: 4-[(5-amino-2-carboxy-5-oxo-2-phenoxypentanoyl)oxymethyl]benzoic acid Traditional Name: 4-[(5-amino-2-carboxy-5-keto-2-phenoxy-pentanoyl)oxymethyl]benzoic acid Formula: C20H19NO8 MolecularWeight: 401.36676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(CCC(=O)N)(C(=O)O)C(=O)OCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC(CCC(=O)N)(C(=O)O)C(=O)OCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C20H19NO8/c21-16(22)10-11-20(18(25)26,29-15-4-2-1-3-5-15)19(27)28-12-13-6-8-14(9-7-13)17(23)24/h1-9H,10-12H2,(H2,21,22)(H,23,24)(H,25,26)