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

Systemtic Name: ethyl (2S)-2-[2-(3-fluoranyl-4-phenyl-phenyl)propanoylamino]-4-methyl-pentanoate Openeye Name: ethyl (2S)-2-[2-(3-fluoro-4-phenyl-phenyl)propanoylamino]-4-methyl-pentanoate CAS Name: (2S)-2-[[2-(3-fluoro-4-phenylphenyl)-1-oxopropyl]amino]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[2-(3-fluoro-4-phenylphenyl)propanoylamino]-4-methylpentanoate Traditional Name: (2S)-2-[2-(3-fluoro-4-phenyl-phenyl)propanoylamino]-4-methyl-valeric acid ethyl ester Formula: C23H28FNO3 MolecularWeight: 385.471723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28FNO3/c1-5-28-23(27)21(13-15(2)3)25-22(26)16(4)18-11-12-19(20(24)14-18)17-9-7-6-8-10-17/h6-12,14-16,21H,5,13H2,1-4H3,(H,25,26)/t16?,21-/m0/s1