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

Systemtic Name: 1-[(2,5-dimethylphenyl)-naphthalen-1-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,5-dimethylphenyl)-(1-naphthyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,5-dimethylphenyl)-(1-naphthalenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethylphenyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,5-dimethylphenyl)-(1-naphthyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C2=CC=CC3=CC=CC=C32)N4CCCC(C4)C(=O)O

InChI

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