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

Systemtic Name: ethyl 2-[1-[2-(6-carbamimidoyl-3-oxidanylidene-1H-isoindol-2-yl)ethanoyl]piperidin-4-yl]oxyethanoate Openeye Name: ethyl 2-[[1-[2-(5-carbamimidoyl-1-oxo-isoindolin-2-yl)acetyl]-4-piperidyl]oxy]acetate CAS Name: 2-[[1-[2-(6-carbamimidoyl-3-oxo-1H-isoindol-2-yl)-1-oxoethyl]-4-piperidinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[2-(6-carbamimidoyl-3-oxo-1H-isoindol-2-yl)acetyl]piperidin-4-yl]oxyacetate Traditional Name: 2-[[1-[2-(5-amidino-1-keto-isoindolin-2-yl)acetyl]-4-piperidyl]oxy]acetic acid ethyl ester Formula: C20H26N4O5 MolecularWeight: 402.44424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1CCN(CC1)C(=O)CN2CC3=C(C2=O)C=CC(=C3)C(=N)N

Isomeric SMILES

CCOC(=O)COC1CCN(CC1)C(=O)CN2CC3=C(C2=O)C=CC(=C3)C(=N)N

InChI

InChI=1S/C20H26N4O5/c1-2-28-18(26)12-29-15-5-7-23(8-6-15)17(25)11-24-10-14-9-13(19(21)22)3-4-16(14)20(24)27/h3-4,9,15H,2,5-8,10-12H2,1H3,(H3,21,22)