1-[(3,4-dimethoxyphenyl)-phenyl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-phenyl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-phenyl-methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-phenylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-phenylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,4-dimethoxyphenyl)-phenyl-methyl]isonipecotic acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC=CC=C2)N3CCC(CC3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC=CC=C2)N3CCC(CC3)C(=O)O)OC

InChI

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