ethyl (2S)-2-[2-(3-fluoranyl-4-phenyl-phenyl)propanoylamino]-3-methyl-butanoate

Systemtic Name: ethyl (2S)-2-[2-(3-fluoranyl-4-phenyl-phenyl)propanoylamino]-3-methyl-butanoate Openeye Name: ethyl (2S)-2-[2-(3-fluoro-4-phenyl-phenyl)propanoylamino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-(3-fluoro-4-phenylphenyl)-1-oxopropyl]amino]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[2-(3-fluoro-4-phenylphenyl)propanoylamino]-3-methylbutanoate Traditional Name: (2S)-2-[2-(3-fluoro-4-phenyl-phenyl)propanoylamino]-3-methyl-butyric acid ethyl ester Formula: C22H26FNO3 MolecularWeight: 371.445143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C)NC(=O)C(C)C1=CC(=C(C=C1)C2=CC=CC=C2)F

Isomeric SMILES

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

InChI

InChI=1S/C22H26FNO3/c1-5-27-22(26)20(14(2)3)24-21(25)15(4)17-11-12-18(19(23)13-17)16-9-7-6-8-10-16/h6-15,20H,5H2,1-4H3,(H,24,25)/t15?,20-/m0/s1