1-[(2,4,5-trimethylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2,4,5-trimethylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2,4,5-trimethylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2,4,5-trimethylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2,4,5-trimethylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-(2,4,5-trimethylbenzyl)nipecotic acid Formula: C16H23NO2 MolecularWeight: 261.35932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)CN2CCCC(C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1C)CN2CCCC(C2)C(=O)O)C

InChI

InChI=1S/C16H23NO2/c1-11-7-13(3)15(8-12(11)2)10-17-6-4-5-14(9-17)16(18)19/h7-8,14H,4-6,9-10H2,1-3H3,(H,18,19)