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

Systemtic Name: 1-[(2,5-dimethoxy-4-phenyl-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,5-dimethoxy-4-phenyl-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,5-dimethoxy-4-phenylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethoxy-4-phenylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-(2,5-dimethoxy-4-phenyl-benzyl)nipecotic acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C2=CC=CC=C2)OC)CN3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1C2=CC=CC=C2)OC)CN3CCCC(C3)C(=O)O

InChI

InChI=1S/C21H25NO4/c1-25-19-12-18(15-7-4-3-5-8-15)20(26-2)11-17(19)14-22-10-6-9-16(13-22)21(23)24/h3-5,7-8,11-12,16H,6,9-10,13-14H2,1-2H3,(H,23,24)