2-(3-bromanylphenoxy)ethyl 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: 2-(3-bromanylphenoxy)ethyl 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: 2-(3-bromophenoxy)ethyl 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid 2-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid 2-(3-bromophenoxy)ethyl ester Formula: C21H20BrNO3 MolecularWeight: 414.2924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCCOC3=CC(=CC=C3)Br)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCCOC3=CC(=CC=C3)Br)C

InChI

InChI=1S/C21H20BrNO3/c1-15-6-7-16(2)23(15)19-10-8-17(9-11-19)21(24)26-13-12-25-20-5-3-4-18(22)14-20/h3-11,14H,12-13H2,1-2H3