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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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