6-(3,4-dimethoxyphenyl)-1-(phenylmethyl)piperidine-3-carboxylic acid

Systemtic Name: 6-(3,4-dimethoxyphenyl)-1-(phenylmethyl)piperidine-3-carboxylic acid Openeye Name: 1-benzyl-6-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid CAS Name: 6-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-3-piperidinecarboxylic acid IUPAC Name: 1-benzyl-6-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid Traditional Name: 1-benzyl-6-(3,4-dimethoxyphenyl)nipecotic acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCC(CN2CC3=CC=CC=C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCC(CN2CC3=CC=CC=C3)C(=O)O)OC

InChI

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