methyl 4-[3-[3-bromanyl-4-(isoquinolin-1-ylcarbonylamino)phenyl]-1-fluoranyl-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[3-[3-bromanyl-4-(isoquinolin-1-ylcarbonylamino)phenyl]-1-fluoranyl-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylate Openeye Name: methyl 4-[3-[3-bromo-4-(isoquinoline-1-carbonylamino)phenyl]-1-fluoro-2-oxo-1-pyrrolidin-1-yl-propoxy]cyclohexanecarboxylate CAS Name: 4-[3-[3-bromo-4-[[1-isoquinolinyl(oxo)methyl]amino]phenyl]-1-fluoro-2-oxo-1-(1-pyrrolidinyl)propoxy]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-[3-bromo-4-(isoquinoline-1-carbonylamino)phenyl]-1-fluoro-2-oxo-1-pyrrolidin-1-ylpropoxy]cyclohexane-1-carboxylate Traditional Name: 4-[3-[3-bromo-4-(isoquinoline-1-carbonylamino)phenyl]-1-fluoro-2-keto-1-pyrrolidino-propoxy]cyclohexanecarboxylic acid methyl ester Formula: C31H33BrFN3O5 MolecularWeight: 626.513223

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)OC(C(=O)CC2=CC(=C(C=C2)NC(=O)C3=NC=CC4=CC=CC=C43)Br)(N5CCCC5)F

Isomeric SMILES

COC(=O)C1CCC(CC1)OC(C(=O)CC2=CC(=C(C=C2)NC(=O)C3=NC=CC4=CC=CC=C43)Br)(N5CCCC5)F

InChI

InChI=1S/C31H33BrFN3O5/c1-40-30(39)22-9-11-23(12-10-22)41-31(33,36-16-4-5-17-36)27(37)19-20-8-13-26(25(32)18-20)35-29(38)28-24-7-3-2-6-21(24)14-15-34-28/h2-3,6-8,13-15,18,22-23H,4-5,9-12,16-17,19H2,1H3,(H,35,38)