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

Systemtic Name: 1-[(2,5-dimethylphenyl)-naphthalen-1-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,5-dimethylphenyl)-(1-naphthyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,5-dimethylphenyl)-(1-naphthalenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethylphenyl)-naphthalen-1-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,5-dimethylphenyl)-(1-naphthyl)methyl]isonipecotic acid Formula: C25H27NO2 MolecularWeight: 373.48738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C2=CC=CC3=CC=CC=C32)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C2=CC=CC3=CC=CC=C32)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C25H27NO2/c1-17-10-11-18(2)23(16-17)24(26-14-12-20(13-15-26)25(27)28)22-9-5-7-19-6-3-4-8-21(19)22/h3-11,16,20,24H,12-15H2,1-2H3,(H,27,28)