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

Systemtic Name: methyl 2-[4-[2-(6-carbamimidoyl-3-oxidanylidene-1H-isoindol-2-yl)ethanoyl]phenoxy]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5/c1-27-18(25)11-28-15-5-2-12(3-6-15)17(24)10-23-9-14-8-13(19(21)22)4-7-16(14)20(23)26/h2-8H,9-11H2,1H3,(H3,21,22)