1-[(4-methoxy-2-propan-2-yl-phenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-methoxy-2-propan-2-yl-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-isopropyl-4-methoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-methoxy-2-propan-2-ylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-methoxy-2-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-(2-isopropyl-4-methoxy-benzyl)nipecotic acid Formula: C17H25NO3 MolecularWeight: 291.3853

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO3/c1-12(2)16-9-15(21-3)7-6-13(16)10-18-8-4-5-14(11-18)17(19)20/h6-7,9,12,14H,4-5,8,10-11H2,1-3H3,(H,19,20)