ethyl 3-[2-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazol-1-yl]ethanoylamino]propanoate

Systemtic Name: ethyl 3-[2-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazol-1-yl]ethanoylamino]propanoate Openeye Name: ethyl 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxo-imidazol-1-yl]acetyl]amino]propanoate CAS Name: 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolyl]-1-oxoethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxoimidazol-1-yl]acetyl]amino]propanoate Traditional Name: 3-[[2-[3-(4-amidinophenyl)-2-keto-4-imidazolin-1-yl]acetyl]amino]propionic acid ethyl ester Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)CN1C=CN(C1=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)CCNC(=O)CN1C=CN(C1=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C17H21N5O4/c1-2-26-15(24)7-8-20-14(23)11-21-9-10-22(17(21)25)13-5-3-12(4-6-13)16(18)19/h3-6,9-10H,2,7-8,11H2,1H3,(H3,18,19)(H,20,23)