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

Systemtic Name: 1-[(3,5-dimethylphenyl)-(3-ethoxy-4-phenylmethoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(3,5-dimethylphenyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC(=CC(=C2)C)C)N3CCCC(C3)C(=O)O)OCC4=CC=CC=C4

InChI

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