(3-bromophenyl)methyl 3,5-dimethyl-4-[(1S)-1-oxidanylethyl]-1H-pyrrole-2-carboxylate

Systemtic Name: (3-bromophenyl)methyl 3,5-dimethyl-4-[(1S)-1-oxidanylethyl]-1H-pyrrole-2-carboxylate Openeye Name: (3-bromophenyl)methyl 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (3-bromophenyl)methyl ester IUPAC Name: (3-bromophenyl)methyl 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[(1S)-1-hydroxyethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (3-bromobenzyl) ester Formula: C16H18BrNO3 MolecularWeight: 352.22302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(C)O)C)C(=O)OCC2=CC(=CC=C2)Br

Isomeric SMILES

CC1=C(NC(=C1[C@H](C)O)C)C(=O)OCC2=CC(=CC=C2)Br

InChI

InChI=1S/C16H18BrNO3/c1-9-14(11(3)19)10(2)18-15(9)16(20)21-8-12-5-4-6-13(17)7-12/h4-7,11,18-19H,8H2,1-3H3/t11-/m0/s1