N-[[2-(2-azanyl-2-oxidanylidene-ethoxy)-4-carbamimidoyl-phenyl]methyl]-4-fluoranyl-3-methyl-benzamide; ethanoic acid

Systemtic Name: N-[[2-(2-azanyl-2-oxidanylidene-ethoxy)-4-carbamimidoyl-phenyl]methyl]-4-fluoranyl-3-methyl-benzamide; ethanoic acid Openeye Name: acetic acid; N-[[2-(2-amino-2-oxo-ethoxy)-4-carbamimidoyl-phenyl]methyl]-4-fluoro-3-methyl-benzamide CAS Name: acetic acid; N-[[2-(2-amino-2-oxoethoxy)-4-carbamimidoylphenyl]methyl]-4-fluoro-3-methylbenzamide IUPAC Name: acetic acid; N-[[2-(2-amino-2-oxoethoxy)-4-carbamimidoylphenyl]methyl]-4-fluoro-3-methylbenzamide Traditional Name: acetic acid; N-[4-amidino-2-(2-amino-2-keto-ethoxy)benzyl]-4-fluoro-3-methyl-benzamide Formula: C20H23FN4O5 MolecularWeight: 418.418823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)OCC(=O)N)F.CC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)OCC(=O)N)F.CC(=O)O

InChI

InChI=1S/C18H19FN4O3.C2H4O2/c1-10-6-12(4-5-14(10)19)18(25)23-8-13-3-2-11(17(21)22)7-15(13)26-9-16(20)24;1-2(3)4/h2-7H,8-9H2,1H3,(H2,20,24)(H3,21,22)(H,23,25);1H3,(H,3,4)