1-[(2-bromophenyl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-bromophenyl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(2-bromophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(2-bromophenyl)methyl]isonipecotic acid Formula: C28H30BrNO5 MolecularWeight: 540.4455

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC=CC=C3Br)N4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC=CC=C3Br)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C28H30BrNO5/c1-33-24-16-21(17-25(34-2)27(24)35-18-19-8-4-3-5-9-19)26(22-10-6-7-11-23(22)29)30-14-12-20(13-15-30)28(31)32/h3-11,16-17,20,26H,12-15,18H2,1-2H3,(H,31,32)