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

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

Isomeric SMILES

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

InChI

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