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

Systemtic Name: ethyl 3-[2-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazol-1-yl]ethanoylamino]-3-pyridin-3-yl-propanoate Openeye Name: ethyl 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxo-imidazol-1-yl]acetyl]amino]-3-(3-pyridyl)propanoate CAS Name: 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolyl]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxoimidazol-1-yl]acetyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: 3-[[2-[3-(4-amidinophenyl)-2-keto-4-imidazolin-1-yl]acetyl]amino]-3-(3-pyridyl)propionic acid ethyl ester Formula: C22H24N6O4 MolecularWeight: 436.46376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N6O4/c1-2-32-20(30)12-18(16-4-3-9-25-13-16)26-19(29)14-27-10-11-28(22(27)31)17-7-5-15(6-8-17)21(23)24/h3-11,13,18H,2,12,14H2,1H3,(H3,23,24)(H,26,29)