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

Systemtic Name: 1-[(2,5-dimethylphenyl)-(3,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,5-dimethylphenyl)-(3,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,5-dimethylphenyl)-(3,5-dimethylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethylphenyl)-(3,5-dimethylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,5-dimethylphenyl)-(3,5-dimethylphenyl)methyl]isonipecotic acid Formula: C23H29NO2 MolecularWeight: 351.48186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C2=CC(=CC(=C2)C)C)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C2=CC(=CC(=C2)C)C)N3CCC(CC3)C(=O)O

InChI

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