[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C21H20BrNO4 MolecularWeight: 430.2918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)CCCC2=CNC3=CC=CC=C32)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)CCCC2=CNC3=CC=CC=C32)Br

InChI

InChI=1S/C21H20BrNO4/c1-26-20-10-9-14(11-17(20)22)19(24)13-27-21(25)8-4-5-15-12-23-18-7-3-2-6-16(15)18/h2-3,6-7,9-12,23H,4-5,8,13H2,1H3