(3S)-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-(4-methoxy-2,5-dimethyl-benzyl)nipecotic acid Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CCCC(C2)C(=O)O)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2CCC[C@@H](C2)C(=O)O)C)OC

InChI

InChI=1S/C16H23NO3/c1-11-8-15(20-3)12(2)7-14(11)10-17-6-4-5-13(9-17)16(18)19/h7-8,13H,4-6,9-10H2,1-3H3,(H,18,19)/t13-/m0/s1