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

Systemtic Name: (phenylmethyl) 2-[4-[2-(6-carbamimidoyl-3-oxidanylidene-1H-isoindol-2-yl)ethanoyl]phenoxy]ethanoate Openeye Name: benzyl 2-[4-[2-(5-carbamimidoyl-1-oxo-isoindolin-2-yl)acetyl]phenoxy]acetate CAS Name: 2-[4-[2-(6-carbamimidoyl-3-oxo-1H-isoindol-2-yl)-1-oxoethyl]phenoxy]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-[2-(6-carbamimidoyl-3-oxo-1H-isoindol-2-yl)acetyl]phenoxy]acetate Traditional Name: 2-[4-[2-(5-amidino-1-keto-isoindolin-2-yl)acetyl]phenoxy]acetic acid benzyl ester Formula: C26H23N3O5 MolecularWeight: 457.47792

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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)OCC4=CC=CC=C4

Isomeric SMILES

C1C2=C(C=CC(=C2)C(=N)N)C(=O)N1CC(=O)C3=CC=C(C=C3)OCC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H23N3O5/c27-25(28)19-8-11-22-20(12-19)13-29(26(22)32)14-23(30)18-6-9-21(10-7-18)33-16-24(31)34-15-17-4-2-1-3-5-17/h1-12H,13-16H2,(H3,27,28)