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

Systemtic Name: 1-[(3-methoxy-4-phenylmethoxy-phenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-methoxy-phenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-(4-phenylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-methoxy-phenyl)-(4-phenylphenyl)methyl]isonipecotic 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)N4CCC(CC4)C(=O)O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCC(CC4)C(=O)O)OCC5=CC=CC=C5

InChI

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