1-[(3,5-dimethylphenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3,5-dimethylphenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(3,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(3-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-(3,5-dimethylphenyl)methyl]pipecolinic acid Formula: C28H31NO3 MolecularWeight: 429.55064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCCCC4C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)N4CCCCC4C(=O)O)C

InChI

InChI=1S/C28H31NO3/c1-20-15-21(2)17-24(16-20)27(29-14-7-6-13-26(29)28(30)31)23-11-8-12-25(18-23)32-19-22-9-4-3-5-10-22/h3-5,8-12,15-18,26-27H,6-7,13-14,19H2,1-2H3,(H,30,31)