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

Systemtic Name: 1-[(3,5-dimethylphenyl)-(4-ethylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(4-ethylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(4-ethylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(4-ethylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(4-ethylphenyl)methyl]nipecotic acid Formula: C23H29NO2 MolecularWeight: 351.48186

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC(=CC(=C2)C)C)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC(=CC(=C2)C)C)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C23H29NO2/c1-4-18-7-9-19(10-8-18)22(21-13-16(2)12-17(3)14-21)24-11-5-6-20(15-24)23(25)26/h7-10,12-14,20,22H,4-6,11,15H2,1-3H3,(H,25,26)