[(4R)-3-(pyridin-4-ylcarbonylamino)azepan-4-yl] 4-(2-fluoranyl-3-methoxy-6-oxidanyl-phenyl)carbonylbenzoate

Systemtic Name: [(4R)-3-(pyridin-4-ylcarbonylamino)azepan-4-yl] 4-(2-fluoranyl-3-methoxy-6-oxidanyl-phenyl)carbonylbenzoate Openeye Name: [(4R)-3-(pyridine-4-carbonylamino)azepan-4-yl] 4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)benzoate CAS Name: 4-[(2-fluoro-6-hydroxy-3-methoxyphenyl)-oxomethyl]benzoic acid [(4R)-3-[[oxo(pyridin-4-yl)methyl]amino]-4-azepanyl] ester IUPAC Name: [(4R)-3-(pyridine-4-carbonylamino)azepan-4-yl] 4-(2-fluoro-6-hydroxy-3-methoxybenzoyl)benzoate Traditional Name: 4-(2-fluoro-6-hydroxy-3-methoxy-benzoyl)benzoic acid [(4R)-3-isonicotinamidoazepan-4-yl] ester Formula: C27H26FN3O6 MolecularWeight: 507.510243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)O)C(=O)C2=CC=C(C=C2)C(=O)OC3CCCNCC3NC(=O)C4=CC=NC=C4)F

Isomeric SMILES

COC1=C(C(=C(C=C1)O)C(=O)C2=CC=C(C=C2)C(=O)O[C@@H]3CCCNCC3NC(=O)C4=CC=NC=C4)F

InChI

InChI=1S/C27H26FN3O6/c1-36-22-9-8-20(32)23(24(22)28)25(33)16-4-6-18(7-5-16)27(35)37-21-3-2-12-30-15-19(21)31-26(34)17-10-13-29-14-11-17/h4-11,13-14,19,21,30,32H,2-3,12,15H2,1H3,(H,31,34)/t19?,21-/m1/s1