N-[(4-carbamimidoylphenyl)methyl]-2-(3,5-diethoxy-2-fluoranyl-phenyl)-2-methoxy-ethanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-(3,5-diethoxy-2-fluoranyl-phenyl)-2-methoxy-ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-(3,5-diethoxy-2-fluoro-phenyl)-2-methoxy-acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-(3,5-diethoxy-2-fluorophenyl)-2-methoxyacetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-(3,5-diethoxy-2-fluorophenyl)-2-methoxyacetamide Traditional Name: N-(4-amidinobenzyl)-2-(3,5-diethoxy-2-fluoro-phenyl)-2-methoxy-acetamide Formula: C21H26FN3O4 MolecularWeight: 403.447243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C(=C1)C(C(=O)NCC2=CC=C(C=C2)C(=N)N)OC)F)OCC

Isomeric SMILES

CCOC1=CC(=C(C(=C1)C(C(=O)NCC2=CC=C(C=C2)C(=N)N)OC)F)OCC

InChI

InChI=1S/C21H26FN3O4/c1-4-28-15-10-16(18(22)17(11-15)29-5-2)19(27-3)21(26)25-12-13-6-8-14(9-7-13)20(23)24/h6-11,19H,4-5,12H2,1-3H3,(H3,23,24)(H,25,26)