[[5-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]-ethanoyl-amino] 4-(4-hydroxyphenyl)butanoate

Systemtic Name: [[5-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]-ethanoyl-amino] 4-(4-hydroxyphenyl)butanoate Openeye Name: [acetyl-[5-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]amino] 4-(4-hydroxyphenyl)butanoate CAS Name: 4-(4-hydroxyphenyl)butanoic acid [acetyl-[5-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]amino] ester IUPAC Name: [acetyl-[5-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]amino] 4-(4-hydroxyphenyl)butanoate Traditional Name: 4-(4-hydroxyphenyl)butyric acid [acetyl-[5-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]amino] ester Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(N1C(CNC1=O)C2=CC=C(C=C2)C(=N)N)OC(=O)CCCC3=CC=C(C=C3)O

Isomeric SMILES

CC(=O)N(N1C(CNC1=O)C2=CC=C(C=C2)C(=N)N)OC(=O)CCCC3=CC=C(C=C3)O

InChI

InChI=1S/C22H25N5O5/c1-14(28)27(32-20(30)4-2-3-15-5-11-18(29)12-6-15)26-19(13-25-22(26)31)16-7-9-17(10-8-16)21(23)24/h5-12,19,29H,2-4,13H2,1H3,(H3,23,24)(H,25,31)