1-[2-(2-methoxy-5-methyl-phenyl)-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(2-methoxy-5-methyl-phenyl)-2-oxidanylidene-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(2-methoxy-5-methyl-phenyl)-2-oxo-ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(2-methoxy-5-methylphenyl)-2-oxoethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-keto-2-(2-methoxy-5-methyl-phenyl)ethyl]isonipecotic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(=O)CN2CCC(CC2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C(=O)CN2CCC(CC2)C(=O)O

InChI

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