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

Systemtic Name: 4-[3-[3-chloranyl-4-(1H-indol-3-ylcarbonylamino)phenyl]-1-fluoranyl-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]cyclohexane-1-carboxylic acid Openeye Name: 4-[3-[3-chloro-4-(1H-indole-3-carbonylamino)phenyl]-1-fluoro-2-oxo-1-pyrrolidin-1-yl-propoxy]cyclohexanecarboxylic acid CAS Name: 4-[3-[3-chloro-4-[[1H-indol-3-yl(oxo)methyl]amino]phenyl]-1-fluoro-2-oxo-1-(1-pyrrolidinyl)propoxy]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[3-[3-chloro-4-(1H-indole-3-carbonylamino)phenyl]-1-fluoro-2-oxo-1-pyrrolidin-1-ylpropoxy]cyclohexane-1-carboxylic acid Traditional Name: 4-[3-[3-chloro-4-(1H-indole-3-carbonylamino)phenyl]-1-fluoro-2-keto-1-pyrrolidino-propoxy]cyclohexanecarboxylic acid Formula: C29H31ClFN3O5 MolecularWeight: 556.024943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(C(=O)CC2=CC(=C(C=C2)NC(=O)C3=CNC4=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=CNC4=CC=CC=C43)Cl)(OC5CCC(CC5)C(=O)O)F

InChI

InChI=1S/C29H31ClFN3O5/c30-23-15-18(7-12-25(23)33-27(36)22-17-32-24-6-2-1-5-21(22)24)16-26(35)29(31,34-13-3-4-14-34)39-20-10-8-19(9-11-20)28(37)38/h1-2,5-7,12,15,17,19-20,32H,3-4,8-11,13-14,16H2,(H,33,36)(H,37,38)