[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-[(4-fluorophenyl)methoxy]benzoate

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 3-[(4-fluorophenyl)methoxy]benzoate Openeye Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 3-[(4-fluorophenyl)methoxy]benzoate CAS Name: 3-[(4-fluorophenyl)methoxy]benzoic acid [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-[(4-fluorophenyl)methoxy]benzoate Traditional Name: 3-(4-fluorobenzyl)oxybenzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C25H22FNO4 MolecularWeight: 419.444883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)OCC4=CC=C(C=C4)F

Isomeric SMILES

C1CC1NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)OCC4=CC=C(C=C4)F

InChI

InChI=1S/C25H22FNO4/c26-20-11-9-17(10-12-20)16-30-22-8-4-7-19(15-22)25(29)31-23(18-5-2-1-3-6-18)24(28)27-21-13-14-21/h1-12,15,21,23H,13-14,16H2,(H,27,28)/t23-/m1/s1