1-[(3,4-diethoxyphenyl)-(3,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,4-diethoxyphenyl)-(3,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-diethoxyphenyl)-(3,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-diethoxyphenyl)-(3,5-dimethylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-diethoxyphenyl)-(3,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,4-diethoxyphenyl)-(3,5-dimethylphenyl)methyl]isonipecotic acid Formula: C25H33NO4 MolecularWeight: 411.53382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C2=CC(=CC(=C2)C)C)N3CCC(CC3)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(C2=CC(=CC(=C2)C)C)N3CCC(CC3)C(=O)O)OCC

InChI

InChI=1S/C25H33NO4/c1-5-29-22-8-7-20(16-23(22)30-6-2)24(21-14-17(3)13-18(4)15-21)26-11-9-19(10-12-26)25(27)28/h7-8,13-16,19,24H,5-6,9-12H2,1-4H3,(H,27,28)