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

Systemtic Name: 1-[(3,5-dimethylphenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(3,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(3,5-dimethylphenyl)methyl]isonipecotic acid Formula: C30H35NO4 MolecularWeight: 473.6032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC(=CC(=C2)C)C)N3CCC(CC3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC(=CC(=C2)C)C)N3CCC(CC3)C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C30H35NO4/c1-4-34-28-19-25(10-11-27(28)35-20-23-8-6-5-7-9-23)29(26-17-21(2)16-22(3)18-26)31-14-12-24(13-15-31)30(32)33/h5-11,16-19,24,29H,4,12-15,20H2,1-3H3,(H,32,33)