methyl (2S)-1-[(3S,4R)-4-(2-bromophenyl)pyrrolidin-3-yl]carbonylpiperidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[(3S,4R)-4-(2-bromophenyl)pyrrolidin-3-yl]carbonylpiperidine-2-carboxylate Openeye Name: methyl (2S)-1-[(3S,4R)-4-(2-bromophenyl)pyrrolidine-3-carbonyl]piperidine-2-carboxylate CAS Name: (2S)-1-[[(3S,4R)-4-(2-bromophenyl)-3-pyrrolidinyl]-oxomethyl]-2-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(3S,4R)-4-(2-bromophenyl)pyrrolidine-3-carbonyl]piperidine-2-carboxylate Traditional Name: (2S)-1-[(3S,4R)-4-(2-bromophenyl)pyrrolidine-3-carbonyl]pipecolinic acid methyl ester Formula: C18H23BrN2O3 MolecularWeight: 395.29082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCCN1C(=O)C2CNCC2C3=CC=CC=C3Br

Isomeric SMILES

COC(=O)[C@@H]1CCCCN1C(=O)[C@@H]2CNC[C@H]2C3=CC=CC=C3Br

InChI

InChI=1S/C18H23BrN2O3/c1-24-18(23)16-8-4-5-9-21(16)17(22)14-11-20-10-13(14)12-6-2-3-7-15(12)19/h2-3,6-7,13-14,16,20H,4-5,8-11H2,1H3/t13-,14+,16-/m0/s1