(3S)-1-[(2-ethylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[(2-ethylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[(2-ethylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[(2-ethylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[(2-ethylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-(2-ethylbenzyl)nipecotic acid Formula: C15H21NO2 MolecularWeight: 247.33274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1CN2CCCC(C2)C(=O)O

Isomeric SMILES

CCC1=CC=CC=C1CN2CCC[C@@H](C2)C(=O)O

InChI

InChI=1S/C15H21NO2/c1-2-12-6-3-4-7-13(12)10-16-9-5-8-14(11-16)15(17)18/h3-4,6-7,14H,2,5,8-11H2,1H3,(H,17,18)/t14-/m0/s1