(3-oxidanylidene-3-phenylmethoxy-propyl) 2-azanyl-3-[4,6-bis(bromanyl)-1H-indol-3-yl]propanoate

Systemtic Name: (3-oxidanylidene-3-phenylmethoxy-propyl) 2-azanyl-3-[4,6-bis(bromanyl)-1H-indol-3-yl]propanoate Openeye Name: (3-benzyloxy-3-oxo-propyl) 2-amino-3-(4,6-dibromo-1H-indol-3-yl)propanoate CAS Name: 2-amino-3-(4,6-dibromo-1H-indol-3-yl)propanoic acid (3-oxo-3-phenylmethoxypropyl) ester IUPAC Name: (3-oxo-3-phenylmethoxypropyl) 2-amino-3-(4,6-dibromo-1H-indol-3-yl)propanoate Traditional Name: 2-amino-3-(4,6-dibromo-1H-indol-3-yl)propionic acid (3-benzoxy-3-keto-propyl) ester Formula: C21H20Br2N2O4 MolecularWeight: 524.2025

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCOC(=O)C(CC2=CNC3=CC(=CC(=C32)Br)Br)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCOC(=O)C(CC2=CNC3=CC(=CC(=C32)Br)Br)N

InChI

InChI=1S/C21H20Br2N2O4/c22-15-9-16(23)20-14(11-25-18(20)10-15)8-17(24)21(27)28-7-6-19(26)29-12-13-4-2-1-3-5-13/h1-5,9-11,17,25H,6-8,12,24H2