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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=CC(=CC(=C2)C)C)N3CCCC(C3)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=CC(=CC(=C2)C)C)N3CCCC(C3)C(=O)O)C

InChI

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