[(2R)-1-[(3-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [(2R)-1-[(3-bromophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [(1R)-2-(3-bromoanilino)-1-methyl-2-oxo-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid [(2R)-1-(3-bromoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-bromoanilino)-1-oxopropan-2-yl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid [(1R)-2-(3-bromoanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H21BrN2O3 MolecularWeight: 393.27494

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)OC(C)C(=O)NC2=CC(=CC=C2)Br)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)O[C@H](C)C(=O)NC2=CC(=CC=C2)Br)C

InChI

InChI=1S/C18H21BrN2O3/c1-5-21-11(2)9-16(12(21)3)18(23)24-13(4)17(22)20-15-8-6-7-14(19)10-15/h6-10,13H,5H2,1-4H3,(H,20,22)/t13-/m1/s1