2-(4-butanoyl-2,3-dimethyl-5-piperidin-1-yl-phenyl)ethanoic acid

Systemtic Name: 2-(4-butanoyl-2,3-dimethyl-5-piperidin-1-yl-phenyl)ethanoic acid Openeye Name: 2-[4-butanoyl-2,3-dimethyl-5-(1-piperidyl)phenyl]acetic acid CAS Name: 2-[2,3-dimethyl-4-(1-oxobutyl)-5-(1-piperidinyl)phenyl]acetic acid IUPAC Name: 2-(4-butanoyl-2,3-dimethyl-5-piperidin-1-ylphenyl)acetic acid Traditional Name: 2-(4-butyryl-2,3-dimethyl-5-piperidino-phenyl)acetic acid Formula: C19H27NO3 MolecularWeight: 317.42258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C=C(C(=C1C)C)CC(=O)O)N2CCCCC2

Isomeric SMILES

CCCC(=O)C1=C(C=C(C(=C1C)C)CC(=O)O)N2CCCCC2

InChI

InChI=1S/C19H27NO3/c1-4-8-17(21)19-14(3)13(2)15(12-18(22)23)11-16(19)20-9-6-5-7-10-20/h11H,4-10,12H2,1-3H3,(H,22,23)