N-[(4-carbamimidoylphenyl)methyl]-2-[2-fluoranyl-6-(3-oxidanylprop-1-ynyl)phenyl]-2-methoxy-ethanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[2-fluoranyl-6-(3-oxidanylprop-1-ynyl)phenyl]-2-methoxy-ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[2-fluoro-6-(3-hydroxyprop-1-ynyl)phenyl]-2-methoxy-acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[2-fluoro-6-(3-hydroxyprop-1-ynyl)phenyl]-2-methoxyacetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[2-fluoro-6-(3-hydroxyprop-1-ynyl)phenyl]-2-methoxyacetamide Traditional Name: N-(4-amidinobenzyl)-2-[2-fluoro-6-(3-hydroxyprop-1-ynyl)phenyl]-2-methoxy-acetamide Formula: C20H20FN3O3 MolecularWeight: 369.389503

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=C(C=CC=C1F)C#CCO)C(=O)NCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

COC(C1=C(C=CC=C1F)C#CCO)C(=O)NCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C20H20FN3O3/c1-27-18(17-14(5-3-11-25)4-2-6-16(17)21)20(26)24-12-13-7-9-15(10-8-13)19(22)23/h2,4,6-10,18,25H,11-12H2,1H3,(H3,22,23)(H,24,26)