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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)-(3,4,5-trimethoxyphenyl)methyl]nipecotic acid Formula: C24H30BrNO7 MolecularWeight: 524.4015

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC(=C(C=C2Br)OC)OC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C24H30BrNO7/c1-29-18-11-16(17(25)12-19(18)30-2)22(26-8-6-7-14(13-26)24(27)28)15-9-20(31-3)23(33-5)21(10-15)32-4/h9-12,14,22H,6-8,13H2,1-5H3,(H,27,28)