1-[(4-tert-butyl-2,5-dimethoxy-phenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-tert-butyl-2,5-dimethoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-tert-butyl-2,5-dimethoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-tert-butyl-2,5-dimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-tert-butyl-2,5-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-(4-tert-butyl-2,5-dimethoxy-benzyl)nipecotic acid Formula: C19H29NO4 MolecularWeight: 335.43786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO4/c1-19(2,3)15-10-16(23-4)14(9-17(15)24-5)12-20-8-6-7-13(11-20)18(21)22/h9-10,13H,6-8,11-12H2,1-5H3,(H,21,22)