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

Systemtic Name: (2-bromanyl-4,5-diethoxy-phenyl)methyl 3-(1H-indol-3-yl)propanoate Openeye Name: (2-bromo-4,5-diethoxy-phenyl)methyl 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid (2-bromo-4,5-diethoxyphenyl)methyl ester IUPAC Name: (2-bromo-4,5-diethoxyphenyl)methyl 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid (2-bromo-4,5-diethoxy-benzyl) ester Formula: C22H24BrNO4 MolecularWeight: 446.33426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)COC(=O)CCC2=CNC3=CC=CC=C32)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)COC(=O)CCC2=CNC3=CC=CC=C32)Br)OCC

InChI

InChI=1S/C22H24BrNO4/c1-3-26-20-11-16(18(23)12-21(20)27-4-2)14-28-22(25)10-9-15-13-24-19-8-6-5-7-17(15)19/h5-8,11-13,24H,3-4,9-10,14H2,1-2H3