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

Systemtic Name: 1-[(2,4-dimethylphenyl)-phenyl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,4-dimethylphenyl)-phenyl-methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,4-dimethylphenyl)-phenylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dimethylphenyl)-phenylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,4-dimethylphenyl)-phenyl-methyl]nipecotic 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)N3CCCC(C3)C(=O)O)C

Isomeric SMILES

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

InChI

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