1-[(3,5-dimethylphenyl)-(3-ethoxy-4-methoxy-phenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3,5-dimethylphenyl)-(3-ethoxy-4-methoxy-phenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(3-ethoxy-4-methoxy-phenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(3-ethoxy-4-methoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(3-ethoxy-4-methoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(3-ethoxy-4-methoxy-phenyl)methyl]pipecolinic acid Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC(=CC(=C2)C)C)N3CCCCC3C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC(=CC(=C2)C)C)N3CCCCC3C(=O)O)OC

InChI

InChI=1S/C24H31NO4/c1-5-29-22-15-18(9-10-21(22)28-4)23(19-13-16(2)12-17(3)14-19)25-11-7-6-8-20(25)24(26)27/h9-10,12-15,20,23H,5-8,11H2,1-4H3,(H,26,27)