(2-bromanyl-4,5-dimethoxy-phenyl)methyl 3-(1H-indol-3-yl)propanoate

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl 3-(1H-indol-3-yl)propanoate Openeye Name: (2-bromo-4,5-dimethoxy-phenyl)methyl 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid (2-bromo-4,5-dimethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-dimethoxyphenyl)methyl 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid (2-bromo-4,5-dimethoxy-benzyl) ester Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)CCC2=CNC3=CC=CC=C32)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)CCC2=CNC3=CC=CC=C32)Br)OC

InChI

InChI=1S/C20H20BrNO4/c1-24-18-9-14(16(21)10-19(18)25-2)12-26-20(23)8-7-13-11-22-17-6-4-3-5-15(13)17/h3-6,9-11,22H,7-8,12H2,1-2H3