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

Systemtic Name: 1-[(2,4-dimethylphenyl)-naphthalen-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,4-dimethylphenyl)-(2-naphthyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,4-dimethylphenyl)-(2-naphthalenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,4-dimethylphenyl)-naphthalen-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2,4-dimethylphenyl)-(2-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(C2=CC3=CC=CC=C3C=C2)N4CCCC(C4)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=CC3=CC=CC=C3C=C2)N4CCCC(C4)C(=O)O)C

InChI

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