1-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[[5-(1,1-dimethylpropyl)-2-methoxy-phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-(5-tert-amyl-2-methoxy-benzyl)nipecotic acid Formula: C19H29NO3 MolecularWeight: 319.43846

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OC)CN2CCCC(C2)C(=O)O

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OC)CN2CCCC(C2)C(=O)O

InChI

InChI=1S/C19H29NO3/c1-5-19(2,3)16-8-9-17(23-4)15(11-16)13-20-10-6-7-14(12-20)18(21)22/h8-9,11,14H,5-7,10,12-13H2,1-4H3,(H,21,22)