2-ethoxyethyl (3R,4S)-4-(2-bromophenyl)-2-methylidene-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: 2-ethoxyethyl (3R,4S)-4-(2-bromophenyl)-2-methylidene-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: 2-ethoxyethyl (3R,4S)-4-(2-bromophenyl)-2-methylene-6-oxo-piperidine-3-carboxylate CAS Name: (3R,4S)-4-(2-bromophenyl)-2-methylene-6-oxo-3-piperidinecarboxylic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (3R,4S)-4-(2-bromophenyl)-2-methylidene-6-oxopiperidine-3-carboxylate Traditional Name: (3R,4S)-4-(2-bromophenyl)-6-keto-2-methylene-nipecotic acid 2-ethoxyethyl ester Formula: C17H20BrNO4 MolecularWeight: 382.249

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C1C(CC(=O)NC1=C)C2=CC=CC=C2Br

Isomeric SMILES

CCOCCOC(=O)[C@@H]1[C@H](CC(=O)NC1=C)C2=CC=CC=C2Br

InChI

InChI=1S/C17H20BrNO4/c1-3-22-8-9-23-17(21)16-11(2)19-15(20)10-13(16)12-6-4-5-7-14(12)18/h4-7,13,16H,2-3,8-10H2,1H3,(H,19,20)/t13-,16+/m1/s1