3-[bis(bromanyl)methyl]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylic acid

Systemtic Name: 3-[bis(bromanyl)methyl]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylic acid Openeye Name: 4-[4-(3-benzyloxypropoxy)phenyl]-3-(dibromomethyl)piperidine-1-carboxylic acid CAS Name: 3-(dibromomethyl)-4-[4-(3-phenylmethoxypropoxy)phenyl]-1-piperidinecarboxylic acid IUPAC Name: 3-(dibromomethyl)-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylic acid Traditional Name: 4-[4-(3-benzoxypropoxy)phenyl]-3-(dibromomethyl)piperidine-1-carboxylic acid Formula: C23H27Br2NO4 MolecularWeight: 541.27278

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=C(C=C2)OCCCOCC3=CC=CC=C3)C(Br)Br)C(=O)O

Isomeric SMILES

C1CN(CC(C1C2=CC=C(C=C2)OCCCOCC3=CC=CC=C3)C(Br)Br)C(=O)O

InChI

InChI=1S/C23H27Br2NO4/c24-22(25)21-15-26(23(27)28)12-11-20(21)18-7-9-19(10-8-18)30-14-4-13-29-16-17-5-2-1-3-6-17/h1-3,5-10,20-22H,4,11-16H2,(H,27,28)