N-[[4-carbamimidoyl-2-(phenethylamino)phenyl]methyl]-2-ethoxy-2-(2-fluoranyl-4-methoxy-phenyl)ethanamide

Systemtic Name: N-[[4-carbamimidoyl-2-(phenethylamino)phenyl]methyl]-2-ethoxy-2-(2-fluoranyl-4-methoxy-phenyl)ethanamide Openeye Name: N-[[4-carbamimidoyl-2-(phenethylamino)phenyl]methyl]-2-ethoxy-2-(2-fluoro-4-methoxy-phenyl)acetamide CAS Name: N-[[4-carbamimidoyl-2-(phenethylamino)phenyl]methyl]-2-ethoxy-2-(2-fluoro-4-methoxyphenyl)acetamide IUPAC Name: N-[[4-carbamimidoyl-2-(phenethylamino)phenyl]methyl]-2-ethoxy-2-(2-fluoro-4-methoxyphenyl)acetamide Traditional Name: N-[4-amidino-2-(phenethylamino)benzyl]-2-ethoxy-2-(2-fluoro-4-methoxy-phenyl)acetamide Formula: C27H31FN4O3 MolecularWeight: 478.558443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=C(C=C(C=C1)OC)F)C(=O)NCC2=C(C=C(C=C2)C(=N)N)NCCC3=CC=CC=C3

Isomeric SMILES

CCOC(C1=C(C=C(C=C1)OC)F)C(=O)NCC2=C(C=C(C=C2)C(=N)N)NCCC3=CC=CC=C3

InChI

InChI=1S/C27H31FN4O3/c1-3-35-25(22-12-11-21(34-2)16-23(22)28)27(33)32-17-20-10-9-19(26(29)30)15-24(20)31-14-13-18-7-5-4-6-8-18/h4-12,15-16,25,31H,3,13-14,17H2,1-2H3,(H3,29,30)(H,32,33)