1-[(4-methoxy-2,3,6-trimethyl-phenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-methoxy-2,3,6-trimethyl-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-methoxy-2,3,6-trimethyl-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-(4-methoxy-2,3,6-trimethyl-benzyl)nipecotic acid Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1CN2CCCC(C2)C(=O)O)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1CN2CCCC(C2)C(=O)O)C)C)OC

InChI

InChI=1S/C17H25NO3/c1-11-8-16(21-4)13(3)12(2)15(11)10-18-7-5-6-14(9-18)17(19)20/h8,14H,5-7,9-10H2,1-4H3,(H,19,20)