(2-bromophenyl) 4-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: (2-bromophenyl) 4-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: (2-bromophenyl) 4-[2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-2-oxoethoxy]benzoic acid (2-bromophenyl) ester IUPAC Name: (2-bromophenyl) 4-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[(2S,6S)-2,6-dimethylpiperidino]-2-keto-ethoxy]benzoic acid (2-bromophenyl) ester Formula: C22H24BrNO4 MolecularWeight: 446.33426

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC2=CC=C(C=C2)C(=O)OC3=CC=CC=C3Br)C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1C(=O)COC2=CC=C(C=C2)C(=O)OC3=CC=CC=C3Br)C

InChI

InChI=1S/C22H24BrNO4/c1-15-6-5-7-16(2)24(15)21(25)14-27-18-12-10-17(11-13-18)22(26)28-20-9-4-3-8-19(20)23/h3-4,8-13,15-16H,5-7,14H2,1-2H3/t15-,16-/m0/s1