1-[(4-pentoxyphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-pentoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-pentoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-pentoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-pentoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-(4-amoxybenzyl)nipecotic acid Formula: C18H27NO3 MolecularWeight: 305.41188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)CN2CCCC(C2)C(=O)O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)CN2CCCC(C2)C(=O)O

InChI

InChI=1S/C18H27NO3/c1-2-3-4-12-22-17-9-7-15(8-10-17)13-19-11-5-6-16(14-19)18(20)21/h7-10,16H,2-6,11-14H2,1H3,(H,20,21)