1-[(3,5-dimethylphenyl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3,5-dimethylphenyl)-(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(3,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(3,5-dimethylphenyl)methyl]pipecolinic acid Formula: C29H33NO4 MolecularWeight: 459.57662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33NO4/c1-20-15-21(2)17-24(16-20)28(30-14-8-7-11-25(30)29(31)32)23-12-13-26(27(18-23)33-3)34-19-22-9-5-4-6-10-22/h4-6,9-10,12-13,15-18,25,28H,7-8,11,14,19H2,1-3H3,(H,31,32)