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

Systemtic Name: 1-[(3,5-dimethylphenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-(4-ethylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(4-ethylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-(4-ethylphenyl)methyl]isonipecotic 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)N3CCC(CC3)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC(=CC(=C2)C)C)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C23H29NO2/c1-4-18-5-7-19(8-6-18)22(21-14-16(2)13-17(3)15-21)24-11-9-20(10-12-24)23(25)26/h5-8,13-15,20,22H,4,9-12H2,1-3H3,(H,25,26)