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

Systemtic Name: ethyl 2-[4-[2-(6-carbamimidoyl-3-oxidanylidene-1H-isoindol-2-yl)ethanoyl]phenoxy]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5/c1-2-28-19(26)12-29-16-6-3-13(4-7-16)18(25)11-24-10-15-9-14(20(22)23)5-8-17(15)21(24)27/h3-9H,2,10-12H2,1H3,(H3,22,23)