1-[2-(3-methylphenoxy)propanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(3-methylphenoxy)propanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(3-methylphenoxy)propanoyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(3-methylphenoxy)-1-oxopropyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(3-methylphenoxy)propanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(3-methylphenoxy)propanoyl]isonipecotic acid Formula: C16H21NO4 MolecularWeight: 291.34224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(C)C(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)OC(C)C(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C16H21NO4/c1-11-4-3-5-14(10-11)21-12(2)15(18)17-8-6-13(7-9-17)16(19)20/h3-5,10,12-13H,6-9H2,1-2H3,(H,19,20)