(3-fluoranyl-4-methoxy-phenyl)methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C21H21FN2O4 MolecularWeight: 384.400843

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H21FN2O4/c1-13(25)24-19(10-15-11-23-18-6-4-3-5-16(15)18)21(26)28-12-14-7-8-20(27-2)17(22)9-14/h3-9,11,19,23H,10,12H2,1-2H3,(H,24,25)/t19-/m0/s1