dimethyl (2S,3S)-3-(4-bromophenyl)-2-ethyl-2-(phenylcarbonyl)cyclopropane-1,1-dicarboxylate

Systemtic Name: dimethyl (2S,3S)-3-(4-bromophenyl)-2-ethyl-2-(phenylcarbonyl)cyclopropane-1,1-dicarboxylate Openeye Name: dimethyl (2S,3S)-2-benzoyl-3-(4-bromophenyl)-2-ethyl-cyclopropane-1,1-dicarboxylate CAS Name: (2S,3S)-2-benzoyl-3-(4-bromophenyl)-2-ethylcyclopropane-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2S,3S)-2-benzoyl-3-(4-bromophenyl)-2-ethylcyclopropane-1,1-dicarboxylate Traditional Name: (2S,3S)-2-benzoyl-3-(4-bromophenyl)-2-ethyl-cyclopropane-1,1-dicarboxylic acid dimethyl ester Formula: C22H21BrO5 MolecularWeight: 445.30314

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C1(C(=O)OC)C(=O)OC)C2=CC=C(C=C2)Br)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC[C@@]1([C@@H](C1(C(=O)OC)C(=O)OC)C2=CC=C(C=C2)Br)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21BrO5/c1-4-21(18(24)15-8-6-5-7-9-15)17(14-10-12-16(23)13-11-14)22(21,19(25)27-2)20(26)28-3/h5-13,17H,4H2,1-3H3/t17-,21+/m0/s1