ethyl 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-3-[2,3,4,5,6-pentakis(fluoranyl)phenyl]propanoate

Systemtic Name: ethyl 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-3-[2,3,4,5,6-pentakis(fluoranyl)phenyl]propanoate Openeye Name: ethyl 3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]-3-(2,3,4,5,6-pentafluorophenyl)propanoate CAS Name: 3-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-3-(2,3,4,5,6-pentafluorophenyl)propanoate Traditional Name: 3-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]-3-(2,3,4,5,6-pentafluorophenyl)propionic acid ethyl ester Formula: C22H21F5N4O4 MolecularWeight: 500.418556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=C(C(=C(C(=C1F)F)F)F)F)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)CC(C1=C(C(=C(C(=C1F)F)F)F)F)NC(=O)CCC(=O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C22H21F5N4O4/c1-2-35-15(34)9-12(16-17(23)19(25)21(27)20(26)18(16)24)31-14(33)8-7-13(32)30-11-5-3-10(4-6-11)22(28)29/h3-6,12H,2,7-9H2,1H3,(H3,28,29)(H,30,32)(H,31,33)