1-[2-(3-methoxy-4-methyl-phenyl)ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(3-methoxy-4-methyl-phenyl)ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(3-methoxy-4-methyl-phenyl)acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(3-methoxy-4-methylphenyl)-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(3-methoxy-4-methylphenyl)acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(3-methoxy-4-methyl-phenyl)acetyl]isonipecotic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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