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

Systemtic Name: 1-[(3-bromophenyl)-(3,5-dimethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(3-bromophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(3-bromophenyl)methyl]nipecotic 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=C3)Br)N4CCCC(C4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC(=CC=C3)Br)N4CCCC(C4)C(=O)O

InChI

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