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

Systemtic Name: 1-[(2,4-dimethylphenyl)-phenyl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2,4-dimethylphenyl)-phenyl-methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2,4-dimethylphenyl)-phenylmethyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dimethylphenyl)-phenylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2,4-dimethylphenyl)-phenyl-methyl]pipecolinic acid Formula: C21H25NO2 MolecularWeight: 323.4287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=CC=CC=C2)N3CCCCC3C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=CC=CC=C2)N3CCCCC3C(=O)O)C

InChI

InChI=1S/C21H25NO2/c1-15-11-12-18(16(2)14-15)20(17-8-4-3-5-9-17)22-13-7-6-10-19(22)21(23)24/h3-5,8-9,11-12,14,19-20H,6-7,10,13H2,1-2H3,(H,23,24)