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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(C)C(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)OC(C)C(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C16H21NO4/c1-11-5-7-14(8-6-11)21-12(2)15(18)17-9-3-4-13(10-17)16(19)20/h5-8,12-13H,3-4,9-10H2,1-2H3,(H,19,20)