1-[[3-(3-methylbutoxy)phenyl]methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[[3-(3-methylbutoxy)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-isopentyloxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[[3-(3-methylbutoxy)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[[3-(3-methylbutoxy)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-(3-isoamoxybenzyl)nipecotic acid Formula: C18H27NO3 MolecularWeight: 305.41188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)CN2CCCC(C2)C(=O)O

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)CN2CCCC(C2)C(=O)O

InChI

InChI=1S/C18H27NO3/c1-14(2)8-10-22-17-7-3-5-15(11-17)12-19-9-4-6-16(13-19)18(20)21/h3,5,7,11,14,16H,4,6,8-10,12-13H2,1-2H3,(H,20,21)