4-[1-fluoranyl-2-oxidanylidene-3-[4-(phenylcarbamoylamino)phenyl]-1-pyrrolidin-1-yl-propoxy]benzoic acid

Systemtic Name: 4-[1-fluoranyl-2-oxidanylidene-3-[4-(phenylcarbamoylamino)phenyl]-1-pyrrolidin-1-yl-propoxy]benzoic acid Openeye Name: 4-[1-fluoro-2-oxo-3-[4-(phenylcarbamoylamino)phenyl]-1-pyrrolidin-1-yl-propoxy]benzoic acid CAS Name: 4-[3-[4-[[anilino(oxo)methyl]amino]phenyl]-1-fluoro-2-oxo-1-(1-pyrrolidinyl)propoxy]benzoic acid IUPAC Name: 4-[1-fluoro-2-oxo-3-[4-(phenylcarbamoylamino)phenyl]-1-pyrrolidin-1-ylpropoxy]benzoic acid Traditional Name: 4-[1-fluoro-2-keto-3-[4-(phenylcarbamoylamino)phenyl]-1-pyrrolidino-propoxy]benzoic acid Formula: C27H26FN3O5 MolecularWeight: 491.510843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(C(=O)CC2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3)(OC4=CC=C(C=C4)C(=O)O)F

Isomeric SMILES

C1CCN(C1)C(C(=O)CC2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3)(OC4=CC=C(C=C4)C(=O)O)F

InChI

InChI=1S/C27H26FN3O5/c28-27(31-16-4-5-17-31,36-23-14-10-20(11-15-23)25(33)34)24(32)18-19-8-12-22(13-9-19)30-26(35)29-21-6-2-1-3-7-21/h1-3,6-15H,4-5,16-18H2,(H,33,34)(H2,29,30,35)