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

Systemtic Name: 4-[3-[3-chloranyl-4-(1H-indol-3-ylcarbonylamino)phenyl]-1-fluoranyl-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]benzoic acid Openeye Name: 4-[3-[3-chloro-4-(1H-indole-3-carbonylamino)phenyl]-1-fluoro-2-oxo-1-pyrrolidin-1-yl-propoxy]benzoic acid CAS Name: 4-[3-[3-chloro-4-[[1H-indol-3-yl(oxo)methyl]amino]phenyl]-1-fluoro-2-oxo-1-(1-pyrrolidinyl)propoxy]benzoic acid IUPAC Name: 4-[3-[3-chloro-4-(1H-indole-3-carbonylamino)phenyl]-1-fluoro-2-oxo-1-pyrrolidin-1-ylpropoxy]benzoic acid Traditional Name: 4-[3-[3-chloro-4-(1H-indole-3-carbonylamino)phenyl]-1-fluoro-2-keto-1-pyrrolidino-propoxy]benzoic acid Formula: C29H25ClFN3O5 MolecularWeight: 549.977303

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(C(=O)CC2=CC(=C(C=C2)NC(=O)C3=CNC4=CC=CC=C43)Cl)(OC5=CC=C(C=C5)C(=O)O)F

Isomeric SMILES

C1CCN(C1)C(C(=O)CC2=CC(=C(C=C2)NC(=O)C3=CNC4=CC=CC=C43)Cl)(OC5=CC=C(C=C5)C(=O)O)F

InChI

InChI=1S/C29H25ClFN3O5/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/h1-2,5-12,15,17,32H,3-4,13-14,16H2,(H,33,36)(H,37,38)