(2,6-dimethylphenyl) 3-(piperidin-1-ylmethyl)benzoate

Systemtic Name: (2,6-dimethylphenyl) 3-(piperidin-1-ylmethyl)benzoate Openeye Name: (2,6-dimethylphenyl) 3-(1-piperidylmethyl)benzoate CAS Name: 3-(1-piperidinylmethyl)benzoic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 3-(piperidin-1-ylmethyl)benzoate Traditional Name: 3-(piperidinomethyl)benzoic acid (2,6-dimethylphenyl) ester Formula: C21H25NO2 MolecularWeight: 323.4287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)C2=CC(=CC=C2)CN3CCCCC3

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)C2=CC(=CC=C2)CN3CCCCC3

InChI

InChI=1S/C21H25NO2/c1-16-8-6-9-17(2)20(16)24-21(23)19-11-7-10-18(14-19)15-22-12-4-3-5-13-22/h6-11,14H,3-5,12-13,15H2,1-2H3