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

Systemtic Name: 2-[[[4-[(4-carbamimidoylphenyl)-phenyl-amino]-4-oxidanylidene-but-2-ynoyl]amino]-phenyl-methyl]butanoate Openeye Name: 2-[[[4-(N-(4-carbamimidoylphenyl)anilino)-4-oxo-but-2-ynoyl]amino]-phenyl-methyl]butanoate CAS Name: 2-[[[4-(N-(4-carbamimidoylphenyl)anilino)-1,4-dioxobut-2-ynyl]amino]-phenylmethyl]butanoate IUPAC Name: 2-[[[4-(N-(4-carbamimidoylphenyl)anilino)-4-oxobut-2-ynoyl]amino]-phenylmethyl]butanoate Traditional Name: 2-[[[4-(N-(4-amidinophenyl)anilino)-4-keto-but-2-ynoyl]amino]-phenyl-methyl]butyrate Formula: C28H25N4O4- MolecularWeight: 481.5225

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1=CC=CC=C1)NC(=O)C#CC(=O)N(C2=CC=CC=C2)C3=CC=C(C=C3)C(=N)N)C(=O)[O-]

Isomeric SMILES

CCC(C(C1=CC=CC=C1)NC(=O)C#CC(=O)N(C2=CC=CC=C2)C3=CC=C(C=C3)C(=N)N)C(=O)[O-]

InChI

InChI=1S/C28H26N4O4/c1-2-23(28(35)36)26(19-9-5-3-6-10-19)31-24(33)17-18-25(34)32(21-11-7-4-8-12-21)22-15-13-20(14-16-22)27(29)30/h3-16,23,26H,2H2,1H3,(H3,29,30)(H,31,33)(H,35,36)/p-1