[1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate

Systemtic Name: [1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl] 2-(2-bromanyl-4,5-dimethoxy-phenyl)ethanoate Openeye Name: [2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl] 2-(2-bromo-4,5-dimethoxy-phenyl)acetate CAS Name: 2-(2-bromo-4,5-dimethoxyphenyl)acetic acid [1-(1H-indol-3-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-bromo-4,5-dimethoxyphenyl)acetate Traditional Name: 2-(2-bromo-4,5-dimethoxy-phenyl)acetic acid [2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H20BrNO5 MolecularWeight: 446.2912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)CC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CC(C(=O)C1=CNC2=CC=CC=C21)OC(=O)CC3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C21H20BrNO5/c1-12(21(25)15-11-23-17-7-5-4-6-14(15)17)28-20(24)9-13-8-18(26-2)19(27-3)10-16(13)22/h4-8,10-12,23H,9H2,1-3H3