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

Systemtic Name: methyl 4-[1-fluoranyl-2-oxidanylidene-3-[4-(phenylcarbamoylamino)phenyl]-1-pyrrolidin-1-yl-propoxy]benzoate Openeye Name: methyl 4-[1-fluoro-2-oxo-3-[4-(phenylcarbamoylamino)phenyl]-1-pyrrolidin-1-yl-propoxy]benzoate CAS Name: 4-[3-[4-[[anilino(oxo)methyl]amino]phenyl]-1-fluoro-2-oxo-1-(1-pyrrolidinyl)propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[1-fluoro-2-oxo-3-[4-(phenylcarbamoylamino)phenyl]-1-pyrrolidin-1-ylpropoxy]benzoate Traditional Name: 4-[1-fluoro-2-keto-3-[4-(phenylcarbamoylamino)phenyl]-1-pyrrolidino-propoxy]benzoic acid methyl ester Formula: C28H28FN3O5 MolecularWeight: 505.537423

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC(C(=O)CC2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3)(N4CCCC4)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC(C(=O)CC2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3)(N4CCCC4)F

InChI

InChI=1S/C28H28FN3O5/c1-36-26(34)21-11-15-24(16-12-21)37-28(29,32-17-5-6-18-32)25(33)19-20-9-13-23(14-10-20)31-27(35)30-22-7-3-2-4-8-22/h2-4,7-16H,5-6,17-19H2,1H3,(H2,30,31,35)