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

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

Systemtic Name:1-[(2,5-dimethylphenyl)-phenyl-methyl]piperidine-3-carboxylic acid
Openeye Name:1-[(2,5-dimethylphenyl)-phenyl-methyl]piperidine-3-carboxylic acid
CAS Name:1-[(2,5-dimethylphenyl)-phenylmethyl]-3-piperidinecarboxylic acid
IUPAC Name:1-[(2,5-dimethylphenyl)-phenylmethyl]piperidine-3-carboxylic acid
Traditional Name:1-[(2,5-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)C(C2=CC=CC=C2)N3CCCC(C3)C(=O)O


Isomeric SMILES

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


InChI

InChI=1S/C21H25NO2/c1-15-10-11-16(2)19(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)


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