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

Systemtic Name: 2-[4-[2-(6-carbamimidoyl-3-oxidanylidene-1H-isoindol-2-yl)ethanoyl]-3-oxidanyl-2-propyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[2-(5-carbamimidoyl-1-oxo-isoindolin-2-yl)acetyl]-3-hydroxy-2-propyl-phenoxy]acetic acid CAS Name: 2-[4-[2-(6-carbamimidoyl-3-oxo-1H-isoindol-2-yl)-1-oxoethyl]-3-hydroxy-2-propylphenoxy]acetic acid IUPAC Name: 2-[4-[2-(6-carbamimidoyl-3-oxo-1H-isoindol-2-yl)acetyl]-3-hydroxy-2-propylphenoxy]acetic acid Traditional Name: 2-[4-[2-(5-amidino-1-keto-isoindolin-2-yl)acetyl]-3-hydroxy-2-propyl-phenoxy]acetic acid Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)CN2CC3=C(C2=O)C=CC(=C3)C(=N)N)OCC(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)CN2CC3=C(C2=O)C=CC(=C3)C(=N)N)OCC(=O)O

InChI

InChI=1S/C22H23N3O6/c1-2-3-16-18(31-11-19(27)28)7-6-15(20(16)29)17(26)10-25-9-13-8-12(21(23)24)4-5-14(13)22(25)30/h4-8,29H,2-3,9-11H2,1H3,(H3,23,24)(H,27,28)