N-[(4-carbamimidoylphenyl)methyl]-2-[3-(1-ethanoylpiperidin-4-yl)oxy-5-ethoxy-2-fluoranyl-phenyl]-2-methoxy-ethanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[3-(1-ethanoylpiperidin-4-yl)oxy-5-ethoxy-2-fluoranyl-phenyl]-2-methoxy-ethanamide Openeye Name: 2-[3-[(1-acetyl-4-piperidyl)oxy]-5-ethoxy-2-fluoro-phenyl]-N-[(4-carbamimidoylphenyl)methyl]-2-methoxy-acetamide CAS Name: 2-[3-[(1-acetyl-4-piperidinyl)oxy]-5-ethoxy-2-fluorophenyl]-N-[(4-carbamimidoylphenyl)methyl]-2-methoxyacetamide IUPAC Name: 2-[3-(1-acetylpiperidin-4-yl)oxy-5-ethoxy-2-fluorophenyl]-N-[(4-carbamimidoylphenyl)methyl]-2-methoxyacetamide Traditional Name: 2-[3-[(1-acetyl-4-piperidyl)oxy]-5-ethoxy-2-fluoro-phenyl]-N-(4-amidinobenzyl)-2-methoxy-acetamide Formula: C26H33FN4O5 MolecularWeight: 500.562423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C(=C1)C(C(=O)NCC2=CC=C(C=C2)C(=N)N)OC)F)OC3CCN(CC3)C(=O)C

Isomeric SMILES

CCOC1=CC(=C(C(=C1)C(C(=O)NCC2=CC=C(C=C2)C(=N)N)OC)F)OC3CCN(CC3)C(=O)C

InChI

InChI=1S/C26H33FN4O5/c1-4-35-20-13-21(23(27)22(14-20)36-19-9-11-31(12-10-19)16(2)32)24(34-3)26(33)30-15-17-5-7-18(8-6-17)25(28)29/h5-8,13-14,19,24H,4,9-12,15H2,1-3H3,(H3,28,29)(H,30,33)