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

Systemtic Name: 1-[(3,5-dimethylphenyl)-(4-ethoxy-3-methoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(4-ethoxy-3-methoxy-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(4-ethoxy-3-methoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(4-ethoxy-3-methoxy-phenyl)methyl]isonipecotic acid Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO4/c1-5-29-21-7-6-19(15-22(21)28-4)23(20-13-16(2)12-17(3)14-20)25-10-8-18(9-11-25)24(26)27/h6-7,12-15,18,23H,5,8-11H2,1-4H3,(H,26,27)