1-[(5-ethanoyl-2-methoxy-phenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-ethanoyl-2-methoxy-phenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-acetyl-2-methoxy-phenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-acetyl-2-methoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-(5-acetyl-2-methoxy-benzyl)nipecotic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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