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

Systemtic Name: methyl 4-[3-[4-[(2-bromophenyl)carbamoylamino]phenyl]-1-fluoranyl-2-oxidanylidene-1-pyrrolidin-1-yl-propoxy]benzoate Openeye Name: methyl 4-[3-[4-[(2-bromophenyl)carbamoylamino]phenyl]-1-fluoro-2-oxo-1-pyrrolidin-1-yl-propoxy]benzoate CAS Name: 4-[3-[4-[[(2-bromoanilino)-oxomethyl]amino]phenyl]-1-fluoro-2-oxo-1-(1-pyrrolidinyl)propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[4-[(2-bromophenyl)carbamoylamino]phenyl]-1-fluoro-2-oxo-1-pyrrolidin-1-ylpropoxy]benzoate Traditional Name: 4-[3-[4-[(2-bromophenyl)carbamoylamino]phenyl]-1-fluoro-2-keto-1-pyrrolidino-propoxy]benzoic acid methyl ester Formula: C28H27BrFN3O5 MolecularWeight: 584.433483

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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=C3Br)(N4CCCC4)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC(C(=O)CC2=CC=C(C=C2)NC(=O)NC3=CC=CC=C3Br)(N4CCCC4)F

InChI

InChI=1S/C28H27BrFN3O5/c1-37-26(35)20-10-14-22(15-11-20)38-28(30,33-16-4-5-17-33)25(34)18-19-8-12-21(13-9-19)31-27(36)32-24-7-3-2-6-23(24)29/h2-3,6-15H,4-5,16-18H2,1H3,(H2,31,32,36)