ethyl 3-[4,6-bis(bromanyl)-1H-indol-3-yl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: ethyl 3-[4,6-bis(bromanyl)-1H-indol-3-yl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: ethyl 2-(benzyloxycarbonylamino)-3-(4,6-dibromo-1H-indol-3-yl)propanoate CAS Name: 3-(4,6-dibromo-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid ethyl ester IUPAC Name: ethyl 3-(4,6-dibromo-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(4,6-dibromo-1H-indol-3-yl)propionic acid ethyl ester Formula: C21H20Br2N2O4 MolecularWeight: 524.2025

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CNC2=CC(=CC(=C21)Br)Br)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CC1=CNC2=CC(=CC(=C21)Br)Br)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H20Br2N2O4/c1-2-28-20(26)18(25-21(27)29-12-13-6-4-3-5-7-13)8-14-11-24-17-10-15(22)9-16(23)19(14)17/h3-7,9-11,18,24H,2,8,12H2,1H3,(H,25,27)