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

Systemtic Name: ethyl 2-[4-[2-(6-carbamimidoyl-3-oxidanylidene-1H-isoindol-2-yl)ethanoyl]-2-chloranyl-phenoxy]ethanoate Openeye Name: ethyl 2-[4-[2-(5-carbamimidoyl-1-oxo-isoindolin-2-yl)acetyl]-2-chloro-phenoxy]acetate CAS Name: 2-[4-[2-(6-carbamimidoyl-3-oxo-1H-isoindol-2-yl)-1-oxoethyl]-2-chlorophenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(6-carbamimidoyl-3-oxo-1H-isoindol-2-yl)acetyl]-2-chlorophenoxy]acetate Traditional Name: 2-[4-[2-(5-amidino-1-keto-isoindolin-2-yl)acetyl]-2-chloro-phenoxy]acetic acid ethyl ester Formula: C21H20ClN3O5 MolecularWeight: 429.8536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O5/c1-2-29-19(27)11-30-18-6-4-12(8-16(18)22)17(26)10-25-9-14-7-13(20(23)24)3-5-15(14)21(25)28/h3-8H,2,9-11H2,1H3,(H3,23,24)