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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCCC(C4)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC=CC=C2OCC3=CC=CC=C3)N4CCCC(C4)C(=O)O)C

InChI

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