2-[[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-but-2-ynoyl]amino]methyl]-2-(furan-2-yl)butanoate

Systemtic Name: 2-[[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-but-2-ynoyl]amino]methyl]-2-(furan-2-yl)butanoate Openeye Name: 2-[[[4-(4-carbamimidoylanilino)-4-oxo-but-2-ynoyl]amino]methyl]-2-(2-furyl)butanoate CAS Name: 2-[[[4-(4-carbamimidoylanilino)-1,4-dioxobut-2-ynyl]amino]methyl]-2-(2-furanyl)butanoate IUPAC Name: 2-[[[4-(4-carbamimidoylanilino)-4-oxobut-2-ynoyl]amino]methyl]-2-(furan-2-yl)butanoate Traditional Name: 2-[[[4-(4-amidinoanilino)-4-keto-but-2-ynoyl]amino]methyl]-2-(2-furyl)butyrate Formula: C20H19N4O5- MolecularWeight: 395.38866

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C#CC(=O)NC1=CC=C(C=C1)C(=N)N)(C2=CC=CO2)C(=O)[O-]

Isomeric SMILES

CCC(CNC(=O)C#CC(=O)NC1=CC=C(C=C1)C(=N)N)(C2=CC=CO2)C(=O)[O-]

InChI

InChI=1S/C20H20N4O5/c1-2-20(19(27)28,15-4-3-11-29-15)12-23-16(25)9-10-17(26)24-14-7-5-13(6-8-14)18(21)22/h3-8,11H,2,12H2,1H3,(H3,21,22)(H,23,25)(H,24,26)(H,27,28)/p-1