methyl (2S)-2-(4-bromophenyl)-2-[(2S)-piperidin-2-yl]ethanoate

Systemtic Name: methyl (2S)-2-(4-bromophenyl)-2-[(2S)-piperidin-2-yl]ethanoate Openeye Name: methyl (2S)-2-(4-bromophenyl)-2-[(2S)-2-piperidyl]acetate CAS Name: (2S)-2-(4-bromophenyl)-2-[(2S)-2-piperidinyl]acetic acid methyl ester IUPAC Name: methyl (2S)-2-(4-bromophenyl)-2-[(2S)-piperidin-2-yl]acetate Traditional Name: (2S)-2-(4-bromophenyl)-2-[(2S)-2-piperidyl]acetic acid methyl ester Formula: C14H18BrNO2 MolecularWeight: 312.20222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CCCCN1)C2=CC=C(C=C2)Br

Isomeric SMILES

COC(=O)[C@H]([C@@H]1CCCCN1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H18BrNO2/c1-18-14(17)13(12-4-2-3-9-16-12)10-5-7-11(15)8-6-10/h5-8,12-13,16H,2-4,9H2,1H3/t12-,13-/m0/s1