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

Systemtic Name: 1-[(3-tert-butyl-2-methoxy-5-methyl-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-tert-butyl-2-methoxy-5-methyl-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-tert-butyl-2-methoxy-5-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-(3-tert-butyl-2-methoxy-5-methyl-benzyl)nipecotic acid Formula: C19H29NO3 MolecularWeight: 319.43846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(C)(C)C)OC)CN2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)C(C)(C)C)OC)CN2CCCC(C2)C(=O)O

InChI

InChI=1S/C19H29NO3/c1-13-9-15(17(23-5)16(10-13)19(2,3)4)12-20-8-6-7-14(11-20)18(21)22/h9-10,14H,6-8,11-12H2,1-5H3,(H,21,22)