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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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