(3S)-1-[(2-chloranyl-6-methyl-phenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[(2-chloranyl-6-methyl-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[(2-chloro-6-methyl-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[(2-chloro-6-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[(2-chloro-6-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-(2-chloro-6-methyl-benzyl)nipecotic acid Formula: C14H18ClNO2 MolecularWeight: 267.75122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)CN2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)CN2CCC[C@@H](C2)C(=O)O

InChI

InChI=1S/C14H18ClNO2/c1-10-4-2-6-13(15)12(10)9-16-7-3-5-11(8-16)14(17)18/h2,4,6,11H,3,5,7-9H2,1H3,(H,17,18)/t11-/m0/s1