4-[3-[3-chloranyl-4-(isoquinolin-1-ylcarbonylamino)phenyl]-1-fluoranyl-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[3-[3-chloranyl-4-(isoquinolin-1-ylcarbonylamino)phenyl]-1-fluoranyl-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylic acid Openeye Name: 4-[3-[3-chloro-4-(isoquinoline-1-carbonylamino)phenyl]-1-fluoro-2-oxo-1-pyrrolidin-1-yl-propoxy]cyclohexanecarboxylic acid CAS Name: 4-[3-[3-chloro-4-[[1-isoquinolinyl(oxo)methyl]amino]phenyl]-1-fluoro-2-oxo-1-(1-pyrrolidinyl)propoxy]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[3-[3-chloro-4-(isoquinoline-1-carbonylamino)phenyl]-1-fluoro-2-oxo-1-pyrrolidin-1-ylpropoxy]cyclohexane-1-carboxylic acid Traditional Name: 4-[3-[3-chloro-4-(isoquinoline-1-carbonylamino)phenyl]-1-fluoro-2-keto-1-pyrrolidino-propoxy]cyclohexanecarboxylic acid Formula: C30H31ClFN3O5 MolecularWeight: 568.035643

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(C(=O)CC2=CC(=C(C=C2)NC(=O)C3=NC=CC4=CC=CC=C43)Cl)(OC5CCC(CC5)C(=O)O)F

Isomeric SMILES

C1CCN(C1)C(C(=O)CC2=CC(=C(C=C2)NC(=O)C3=NC=CC4=CC=CC=C43)Cl)(OC5CCC(CC5)C(=O)O)F

InChI

InChI=1S/C30H31ClFN3O5/c31-24-17-19(7-12-25(24)34-28(37)27-23-6-2-1-5-20(23)13-14-33-27)18-26(36)30(32,35-15-3-4-16-35)40-22-10-8-21(9-11-22)29(38)39/h1-2,5-7,12-14,17,21-22H,3-4,8-11,15-16,18H2,(H,34,37)(H,38,39)