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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)(CN2C(=O)C3=CC=CC=C3C2=O)C(=N)N)OC(=O)C4=CC=CO4

Isomeric SMILES

C1CCN(C(C1)(CN2C(=O)C3=CC=CC=C3C2=O)C(=N)N)OC(=O)C4=CC=CO4

InChI

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