1-[(3-tert-butyl-4-methoxy-phenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-tert-butyl-4-methoxy-phenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-tert-butyl-4-methoxy-phenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-tert-butyl-4-methoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-tert-butyl-4-methoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-(3-tert-butyl-4-methoxy-benzyl)isonipecotic acid Formula: C18H27NO3 MolecularWeight: 305.41188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO3/c1-18(2,3)15-11-13(5-6-16(15)22-4)12-19-9-7-14(8-10-19)17(20)21/h5-6,11,14H,7-10,12H2,1-4H3,(H,20,21)