(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(1H-indol-3-yl)propanoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(1H-indol-3-yl)propanoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(1H-indol-3-yl)propanoate CAS Name: 3-(1H-indol-3-yl)propanoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(1H-indol-3-yl)propanoate Traditional Name: 3-(1H-indol-3-yl)propionic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C20H18BrNO4 MolecularWeight: 416.26522

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)CCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)COC(=O)CCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C20H18BrNO4/c21-16-10-19-18(24-7-8-25-19)9-14(16)12-26-20(23)6-5-13-11-22-17-4-2-1-3-15(13)17/h1-4,9-11,22H,5-8,12H2