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

Systemtic Name: ethyl 2-[4-[2-(6-carbamimidoyl-3-oxidanylidene-1H-isoindol-2-yl)ethanoyl]-3-oxidanyl-phenoxy]ethanoate Openeye Name: ethyl 2-[4-[2-(5-carbamimidoyl-1-oxo-isoindolin-2-yl)acetyl]-3-hydroxy-phenoxy]acetate CAS Name: 2-[4-[2-(6-carbamimidoyl-3-oxo-1H-isoindol-2-yl)-1-oxoethyl]-3-hydroxyphenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(6-carbamimidoyl-3-oxo-1H-isoindol-2-yl)acetyl]-3-hydroxyphenoxy]acetate Traditional Name: 2-[4-[2-(5-amidino-1-keto-isoindolin-2-yl)acetyl]-3-hydroxy-phenoxy]acetic acid ethyl ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O6/c1-2-29-19(27)11-30-14-4-6-16(17(25)8-14)18(26)10-24-9-13-7-12(20(22)23)3-5-15(13)21(24)28/h3-8,25H,2,9-11H2,1H3,(H3,22,23)