methyl 4-bromanyl-2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: methyl 4-bromanyl-2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: methyl 1-benzyl-4-bromo-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 4-bromo-2,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-4-bromo-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-benzyl-4-bromo-2,5-dimethyl-pyrrole-3-carboxylic acid methyl ester Formula: C15H16BrNO2 MolecularWeight: 322.19704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=CC=C2)C)Br)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=CC=C2)C)Br)C(=O)OC

InChI

InChI=1S/C15H16BrNO2/c1-10-13(15(18)19-3)14(16)11(2)17(10)9-12-7-5-4-6-8-12/h4-8H,9H2,1-3H3