2-[4-[2-(6-carbamimidoyl-3-oxidanylidene-1H-isoindol-2-yl)ethanoyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-(6-carbamimidoyl-3-oxidanylidene-1H-isoindol-2-yl)ethanoyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[2-(5-carbamimidoyl-1-oxo-isoindolin-2-yl)acetyl]phenoxy]acetic acid CAS Name: 2-[4-[2-(6-carbamimidoyl-3-oxo-1H-isoindol-2-yl)-1-oxoethyl]phenoxy]acetic acid IUPAC Name: 2-[4-[2-(6-carbamimidoyl-3-oxo-1H-isoindol-2-yl)acetyl]phenoxy]acetic acid Traditional Name: 2-[4-[2-(5-amidino-1-keto-isoindolin-2-yl)acetyl]phenoxy]acetic acid Formula: C19H17N3O5 MolecularWeight: 367.35538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C(=N)N)C(=O)N1CC(=O)C3=CC=C(C=C3)OCC(=O)O

Isomeric SMILES

C1C2=C(C=CC(=C2)C(=N)N)C(=O)N1CC(=O)C3=CC=C(C=C3)OCC(=O)O

InChI

InChI=1S/C19H17N3O5/c20-18(21)12-3-6-15-13(7-12)8-22(19(15)26)9-16(23)11-1-4-14(5-2-11)27-10-17(24)25/h1-7H,8-10H2,(H3,20,21)(H,24,25)