[(2S)-1-oxidanylidene-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-chloranyl-4-fluoranyl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=C(C=C(C=C2)F)Cl

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)[C@H](C)OC(=O)C2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C20H21ClFNO3/c1-13(8-9-15-6-4-3-5-7-15)23-19(24)14(2)26-20(25)17-11-10-16(22)12-18(17)21/h3-7,10-14H,8-9H2,1-2H3,(H,23,24)/t13-,14+/m1/s1