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

Systemtic Name: 2-methylpropyl 2-[4-[2-(6-carbamimidoyl-3-oxidanylidene-1H-isoindol-2-yl)ethanoyl]phenoxy]ethanoate Openeye Name: isobutyl 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 2-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O5/c1-14(2)12-31-21(28)13-30-18-6-3-15(4-7-18)20(27)11-26-10-17-9-16(22(24)25)5-8-19(17)23(26)29/h3-9,14H,10-13H2,1-2H3,(H3,24,25)