ethyl (2S)-3-(7-bromanyl-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: ethyl (2S)-3-(7-bromanyl-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: ethyl (2S)-2-(benzyloxycarbonylamino)-3-(7-bromo-1H-indol-3-yl)propanoate CAS Name: (2S)-3-(7-bromo-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-(7-bromo-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-(7-bromo-1H-indol-3-yl)propionic acid ethyl ester Formula: C21H21BrN2O4 MolecularWeight: 445.30644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CNC2=C1C=CC=C2Br)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H](CC1=CNC2=C1C=CC=C2Br)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21BrN2O4/c1-2-27-20(25)18(24-21(26)28-13-14-7-4-3-5-8-14)11-15-12-23-19-16(15)9-6-10-17(19)22/h3-10,12,18,23H,2,11,13H2,1H3,(H,24,26)/t18-/m0/s1