methyl 5-bromanyl-2-methyl-4-[2-(phenylmethyl)phenyl]carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-bromanyl-2-methyl-4-[2-(phenylmethyl)phenyl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 4-(2-benzylbenzoyl)-5-bromo-2-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-bromo-2-methyl-4-[oxo-[2-(phenylmethyl)phenyl]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-benzylbenzoyl)-5-bromo-2-methyl-1H-pyrrole-3-carboxylate Traditional Name: 4-(2-benzylbenzoyl)-5-bromo-2-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H18BrNO3 MolecularWeight: 412.27652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)Br)C(=O)C2=CC=CC=C2CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(N1)Br)C(=O)C2=CC=CC=C2CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H18BrNO3/c1-13-17(21(25)26-2)18(20(22)23-13)19(24)16-11-7-6-10-15(16)12-14-8-4-3-5-9-14/h3-11,23H,12H2,1-2H3