2-[(4-methoxyphenyl)methyl]-1-(phenylmethyl)piperidine-3-carboxylic acid

Systemtic Name: 2-[(4-methoxyphenyl)methyl]-1-(phenylmethyl)piperidine-3-carboxylic acid Openeye Name: 1-benzyl-2-[(4-methoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 2-[(4-methoxyphenyl)methyl]-1-(phenylmethyl)-3-piperidinecarboxylic acid IUPAC Name: 1-benzyl-2-[(4-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-benzyl-2-p-anisyl-nipecotic acid Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2C(CCCN2CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CC2C(CCCN2CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H25NO3/c1-25-18-11-9-16(10-12-18)14-20-19(21(23)24)8-5-13-22(20)15-17-6-3-2-4-7-17/h2-4,6-7,9-12,19-20H,5,8,13-15H2,1H3,(H,23,24)