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

Systemtic Name: 1-[(5-tert-butyl-2-methoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-tert-butyl-2-methoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-tert-butyl-2-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-tert-butyl-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-(5-tert-butyl-2-methoxy-benzyl)nipecotic acid Formula: C18H27NO3 MolecularWeight: 305.41188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO3/c1-18(2,3)15-7-8-16(22-4)14(10-15)12-19-9-5-6-13(11-19)17(20)21/h7-8,10,13H,5-6,9,11-12H2,1-4H3,(H,20,21)