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

Systemtic Name: ethyl 3-[2-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazol-1-yl]ethanoylamino]butanoate Openeye Name: ethyl 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxo-imidazol-1-yl]acetyl]amino]butanoate CAS Name: 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolyl]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxoimidazol-1-yl]acetyl]amino]butanoate Traditional Name: 3-[[2-[3-(4-amidinophenyl)-2-keto-4-imidazolin-1-yl]acetyl]amino]butyric acid ethyl ester Formula: C18H23N5O4 MolecularWeight: 373.40632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O4/c1-3-27-16(25)10-12(2)21-15(24)11-22-8-9-23(18(22)26)14-6-4-13(5-7-14)17(19)20/h4-9,12H,3,10-11H2,1-2H3,(H3,19,20)(H,21,24)