ethyl (2S)-2-[2-(3-fluoranyl-4-phenyl-phenyl)propanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: ethyl (2S)-2-[2-(3-fluoranyl-4-phenyl-phenyl)propanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: ethyl (2S)-2-[2-(3-fluoro-4-phenyl-phenyl)propanoylamino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[2-(3-fluoro-4-phenylphenyl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[2-(3-fluoro-4-phenylphenyl)propanoylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[2-(3-fluoro-4-phenyl-phenyl)propanoylamino]-3-(1H-indol-3-yl)propionic acid ethyl ester Formula: C28H27FN2O3 MolecularWeight: 458.523983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(C)C3=CC(=C(C=C3)C4=CC=CC=C4)F

Isomeric SMILES

CCOC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C(C)C3=CC(=C(C=C3)C4=CC=CC=C4)F

InChI

InChI=1S/C28H27FN2O3/c1-3-34-28(33)26(16-21-17-30-25-12-8-7-11-23(21)25)31-27(32)18(2)20-13-14-22(24(29)15-20)19-9-5-4-6-10-19/h4-15,17-18,26,30H,3,16H2,1-2H3,(H,31,32)/t18?,26-/m0/s1