1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(4-methylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(4-methylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(p-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(4-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(p-tolyl)methyl]nipecotic acid Formula: C29H33NO4 MolecularWeight: 459.57662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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