1-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[5-(1,1-dimethylpropyl)-2-methoxy-phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-(5-tert-amyl-2-methoxy-benzyl)isonipecotic 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)CN2CCC(CC2)C(=O)O

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OC)CN2CCC(CC2)C(=O)O

InChI

InChI=1S/C19H29NO3/c1-5-19(2,3)16-6-7-17(23-4)15(12-16)13-20-10-8-14(9-11-20)18(21)22/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,21,22)