1-[(2,4,5-trimethylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2,4,5-trimethylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,4,5-trimethylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,4,5-trimethylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,4,5-trimethylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-(2,4,5-trimethylbenzyl)isonipecotic acid Formula: C16H23NO2 MolecularWeight: 261.35932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)CN2CCC(CC2)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1C)CN2CCC(CC2)C(=O)O)C

InChI

InChI=1S/C16H23NO2/c1-11-8-13(3)15(9-12(11)2)10-17-6-4-14(5-7-17)16(18)19/h8-9,14H,4-7,10H2,1-3H3,(H,18,19)