ethyl 1-[2-(2-carbamimidoylphenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-3,5-bis(fluoranyl)pyridin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(2-carbamimidoylphenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-3,5-bis(fluoranyl)pyridin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(2-carbamimidoylphenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-3,5-difluoro-4-pyridyl]piperidine-4-carboxylate CAS Name: 1-[2-(2-carbamimidoylphenoxy)-6-[3-[dimethylamino(oxo)methyl]phenoxy]-3,5-difluoro-4-pyridinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2-carbamimidoylphenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-3,5-difluoropyridin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[2-(2-amidinophenoxy)-6-[3-(dimethylcarbamoyl)phenoxy]-3,5-difluoro-4-pyridyl]isonipecotic acid ethyl ester Formula: C29H31F2N5O5 MolecularWeight: 567.583746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC(=C2F)OC3=CC=CC=C3C(=N)N)OC4=CC=CC(=C4)C(=O)N(C)C)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC(=C2F)OC3=CC=CC=C3C(=N)N)OC4=CC=CC(=C4)C(=O)N(C)C)F

InChI

InChI=1S/C29H31F2N5O5/c1-4-39-29(38)17-12-14-36(15-13-17)24-22(30)26(40-19-9-7-8-18(16-19)28(37)35(2)3)34-27(23(24)31)41-21-11-6-5-10-20(21)25(32)33/h5-11,16-17H,4,12-15H2,1-3H3,(H3,32,33)