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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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