methyl 4-[5-[2-(4-carbamimidoylphenyl)ethyl]-2-oxidanylidene-imidazolidin-1-yl]butanoate

Systemtic Name: methyl 4-[5-[2-(4-carbamimidoylphenyl)ethyl]-2-oxidanylidene-imidazolidin-1-yl]butanoate Openeye Name: methyl 4-[5-[2-(4-carbamimidoylphenyl)ethyl]-2-oxo-imidazolidin-1-yl]butanoate CAS Name: 4-[5-[2-(4-carbamimidoylphenyl)ethyl]-2-oxo-1-imidazolidinyl]butanoic acid methyl ester IUPAC Name: methyl 4-[5-[2-(4-carbamimidoylphenyl)ethyl]-2-oxoimidazolidin-1-yl]butanoate Traditional Name: 4-[5-[2-(4-amidinophenyl)ethyl]-2-keto-imidazolidin-1-yl]butyric acid methyl ester Formula: C17H24N4O3 MolecularWeight: 332.39746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCN1C(CNC1=O)CCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

COC(=O)CCCN1C(CNC1=O)CCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C17H24N4O3/c1-24-15(22)3-2-10-21-14(11-20-17(21)23)9-6-12-4-7-13(8-5-12)16(18)19/h4-5,7-8,14H,2-3,6,9-11H2,1H3,(H3,18,19)(H,20,23)