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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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