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

Systemtic Name: ethyl 3-[2-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazol-1-yl]ethanoylamino]-3-(furan-3-yl)propanoate Openeye Name: ethyl 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxo-imidazol-1-yl]acetyl]amino]-3-(3-furyl)propanoate CAS Name: 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolyl]-1-oxoethyl]amino]-3-(3-furanyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxoimidazol-1-yl]acetyl]amino]-3-(furan-3-yl)propanoate Traditional Name: 3-[[2-[3-(4-amidinophenyl)-2-keto-4-imidazolin-1-yl]acetyl]amino]-3-(3-furyl)propionic acid ethyl ester Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=COC=C1)NC(=O)CN2C=CN(C2=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(=O)CC(C1=COC=C1)NC(=O)CN2C=CN(C2=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H23N5O5/c1-2-31-19(28)11-17(15-7-10-30-13-15)24-18(27)12-25-8-9-26(21(25)29)16-5-3-14(4-6-16)20(22)23/h3-10,13,17H,2,11-12H2,1H3,(H3,22,23)(H,24,27)