ethyl 3-[4-[2-(2-carbamimidoylphenoxy)-3,5-bis(fluoranyl)-6-[3-(1-methylimidazol-2-yl)phenoxy]pyridin-4-yl]oxypiperidin-1-yl]propanoate

Systemtic Name: ethyl 3-[4-[2-(2-carbamimidoylphenoxy)-3,5-bis(fluoranyl)-6-[3-(1-methylimidazol-2-yl)phenoxy]pyridin-4-yl]oxypiperidin-1-yl]propanoate Openeye Name: ethyl 3-[4-[[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methylimidazol-2-yl)phenoxy]-4-pyridyl]oxy]-1-piperidyl]propanoate CAS Name: 3-[4-[[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methyl-2-imidazolyl)phenoxy]-4-pyridinyl]oxy]-1-piperidinyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[2-(2-carbamimidoylphenoxy)-3,5-difluoro-6-[3-(1-methylimidazol-2-yl)phenoxy]pyridin-4-yl]oxypiperidin-1-yl]propanoate Traditional Name: 3-[4-[[2-(2-amidinophenoxy)-3,5-difluoro-6-[3-(1-methylimidazol-2-yl)phenoxy]-4-pyridyl]oxy]piperidino]propionic acid ethyl ester Formula: C32H34F2N6O5 MolecularWeight: 620.646366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1CCC(CC1)OC2=C(C(=NC(=C2F)OC3=CC=CC=C3C(=N)N)OC4=CC=CC(=C4)C5=NC=CN5C)F

Isomeric SMILES

CCOC(=O)CCN1CCC(CC1)OC2=C(C(=NC(=C2F)OC3=CC=CC=C3C(=N)N)OC4=CC=CC(=C4)C5=NC=CN5C)F

InChI

InChI=1S/C32H34F2N6O5/c1-3-42-25(41)13-17-40-15-11-21(12-16-40)43-28-26(33)31(44-22-8-6-7-20(19-22)30-37-14-18-39(30)2)38-32(27(28)34)45-24-10-5-4-9-23(24)29(35)36/h4-10,14,18-19,21H,3,11-13,15-17H2,1-2H3,(H3,35,36)