6-(3,4-dimethoxyphenyl)-1-(2-methylpropyl)piperidine-3-carboxylic acid

Systemtic Name: 6-(3,4-dimethoxyphenyl)-1-(2-methylpropyl)piperidine-3-carboxylic acid Openeye Name: 6-(3,4-dimethoxyphenyl)-1-isobutyl-piperidine-3-carboxylic acid CAS Name: 6-(3,4-dimethoxyphenyl)-1-(2-methylpropyl)-3-piperidinecarboxylic acid IUPAC Name: 6-(3,4-dimethoxyphenyl)-1-(2-methylpropyl)piperidine-3-carboxylic acid Traditional Name: 6-(3,4-dimethoxyphenyl)-1-isobutyl-nipecotic acid Formula: C18H27NO4 MolecularWeight: 321.41128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC(CCC1C2=CC(=C(C=C2)OC)OC)C(=O)O

Isomeric SMILES

CC(C)CN1CC(CCC1C2=CC(=C(C=C2)OC)OC)C(=O)O

InChI

InChI=1S/C18H27NO4/c1-12(2)10-19-11-14(18(20)21)5-7-15(19)13-6-8-16(22-3)17(9-13)23-4/h6,8-9,12,14-15H,5,7,10-11H2,1-4H3,(H,20,21)