(2-carbamimidoylpiperidin-1-yl) 5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]furan-2-carboxylate

Systemtic Name: (2-carbamimidoylpiperidin-1-yl) 5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]furan-2-carboxylate Openeye Name: (2-carbamimidoyl-1-piperidyl) 5-[(1,3-dioxoisoindolin-2-yl)methyl]furan-2-carboxylate CAS Name: 5-[(1,3-dioxo-2-isoindolyl)methyl]-2-furancarboxylic acid (2-carbamimidoyl-1-piperidinyl) ester IUPAC Name: (2-carbamimidoylpiperidin-1-yl) 5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carboxylate Traditional Name: 5-(phthalimidomethyl)furan-2-carboxylic acid (2-amidinopiperidino) ester Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=N)N)OC(=O)C2=CC=C(O2)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCN(C(C1)C(=N)N)OC(=O)C2=CC=C(O2)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H20N4O5/c21-17(22)15-7-3-4-10-24(15)29-20(27)16-9-8-12(28-16)11-23-18(25)13-5-1-2-6-14(13)19(23)26/h1-2,5-6,8-9,15H,3-4,7,10-11H2,(H3,21,22)