(3-bromophenyl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: (3-bromophenyl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: (3-bromophenyl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid (3-bromophenyl)methyl ester IUPAC Name: (3-bromophenyl)methyl 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid (3-bromobenzyl) ester Formula: C20H18BrNO2 MolecularWeight: 384.26642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC3=CC(=CC=C3)Br)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)C(=O)OCC3=CC(=CC=C3)Br)C

InChI

InChI=1S/C20H18BrNO2/c1-14-6-7-15(2)22(14)19-10-8-17(9-11-19)20(23)24-13-16-4-3-5-18(21)12-16/h3-12H,13H2,1-2H3