2-[(3Z)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(5-fluoranyl-2-oxidanyl-phenyl)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-2-methyl-butanedioic acid

Systemtic Name: 2-[(3Z)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(5-fluoranyl-2-oxidanyl-phenyl)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]-2-methyl-butanedioic acid Openeye Name: 2-[(3Z)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(5-fluoro-2-hydroxy-phenyl)-4-oxo-cyclohexa-1,5-dien-1-yl]-2-methyl-butanedioic acid CAS Name: 2-[(3Z)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(5-fluoro-2-hydroxyphenyl)-4-oxo-1-cyclohexa-1,5-dienyl]-2-methylbutanedioic acid IUPAC Name: 2-[(3Z)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(5-fluoro-2-hydroxyphenyl)-4-oxocyclohexa-1,5-dien-1-yl]-2-methylbutanedioic acid Traditional Name: 2-[(3Z)-3-(5-amidino-1,3-dihydrobenzimidazol-2-ylidene)-5-(5-fluoro-2-hydroxy-phenyl)-4-keto-cyclohexa-1,5-dien-1-yl]-2-methyl-succinic acid Formula: C25H21FN4O6 MolecularWeight: 492.455843

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)(C1=CC(=C2NC3=C(N2)C=C(C=C3)C(=N)N)C(=O)C(=C1)C4=C(C=CC(=C4)F)O)C(=O)O

Isomeric SMILES

CC(CC(=O)O)(C1=C/C(=C/2\NC3=C(N2)C=C(C=C3)C(=N)N)/C(=O)C(=C1)C4=C(C=CC(=C4)F)O)C(=O)O

InChI

InChI=1S/C25H21FN4O6/c1-25(24(35)36,10-20(32)33)12-7-15(14-9-13(26)3-5-19(14)31)21(34)16(8-12)23-29-17-4-2-11(22(27)28)6-18(17)30-23/h2-9,29-31H,10H2,1H3,(H3,27,28)(H,32,33)(H,35,36)/b23-16-