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

Systemtic Name: ethyl 2-[4-[2-(6-carbamimidoyl-3-oxidanylidene-1H-isoindol-2-yl)ethanoyl]piperazin-1-yl]ethanoate Openeye Name: ethyl 2-[4-[2-(5-carbamimidoyl-1-oxo-isoindolin-2-yl)acetyl]piperazin-1-yl]acetate CAS Name: 2-[4-[2-(6-carbamimidoyl-3-oxo-1H-isoindol-2-yl)-1-oxoethyl]-1-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[2-(6-carbamimidoyl-3-oxo-1H-isoindol-2-yl)acetyl]piperazin-1-yl]acetate Traditional Name: 2-[4-[2-(5-amidino-1-keto-isoindolin-2-yl)acetyl]piperazino]acetic acid ethyl ester Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCN(CC1)C(=O)CN2CC3=C(C2=O)C=CC(=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CN1CCN(CC1)C(=O)CN2CC3=C(C2=O)C=CC(=C3)C(=N)N

InChI

InChI=1S/C19H25N5O4/c1-2-28-17(26)12-22-5-7-23(8-6-22)16(25)11-24-10-14-9-13(18(20)21)3-4-15(14)19(24)27/h3-4,9H,2,5-8,10-12H2,1H3,(H3,20,21)