[2-[[(1S)-3-methyl-1-phenyl-butyl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-2-fluoranyl-benzoate

Systemtic Name: [2-[[(1S)-3-methyl-1-phenyl-butyl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-2-fluoranyl-benzoate Openeye Name: [2-[[(1S)-3-methyl-1-phenyl-butyl]amino]-2-oxo-ethyl] 4-chloro-2-fluoro-benzoate CAS Name: 4-chloro-2-fluorobenzoic acid [2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 4-chloro-2-fluorobenzoate Traditional Name: 4-chloro-2-fluoro-benzoic acid [2-keto-2-[[(1S)-3-methyl-1-phenyl-butyl]amino]ethyl] ester Formula: C20H21ClFNO3 MolecularWeight: 377.837043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)Cl)F

Isomeric SMILES

CC(C)C[C@@H](C1=CC=CC=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)Cl)F

InChI

InChI=1S/C20H21ClFNO3/c1-13(2)10-18(14-6-4-3-5-7-14)23-19(24)12-26-20(25)16-9-8-15(21)11-17(16)22/h3-9,11,13,18H,10,12H2,1-2H3,(H,23,24)/t18-/m0/s1