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

Systemtic Name: propan-2-yl 2-[4-[2-(6-carbamimidoyl-3-oxidanylidene-1H-isoindol-2-yl)ethanoyl]phenoxy]ethanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)COC1=CC=C(C=C1)C(=O)CN2CC3=C(C2=O)C=CC(=C3)C(=N)N

Isomeric SMILES

CC(C)OC(=O)COC1=CC=C(C=C1)C(=O)CN2CC3=C(C2=O)C=CC(=C3)C(=N)N

InChI

InChI=1S/C22H23N3O5/c1-13(2)30-20(27)12-29-17-6-3-14(4-7-17)19(26)11-25-10-16-9-15(21(23)24)5-8-18(16)22(25)28/h3-9,13H,10-12H2,1-2H3,(H3,23,24)