1-[(3-methoxy-4-phenylmethoxy-phenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-(4-phenylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(4-phenylphenyl)methyl]nipecotic acid Formula: C33H33NO4 MolecularWeight: 507.61942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCC(C4)C(=O)O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCC(C4)C(=O)O)OCC5=CC=CC=C5

InChI

InChI=1S/C33H33NO4/c1-37-31-21-28(18-19-30(31)38-23-24-9-4-2-5-10-24)32(34-20-8-13-29(22-34)33(35)36)27-16-14-26(15-17-27)25-11-6-3-7-12-25/h2-7,9-12,14-19,21,29,32H,8,13,20,22-23H2,1H3,(H,35,36)