3-[3-methyl-3-oxidanyl-4-[(2-propanoylphenyl)amino]piperidin-1-yl]propanoic acid

Systemtic Name: 3-[3-methyl-3-oxidanyl-4-[(2-propanoylphenyl)amino]piperidin-1-yl]propanoic acid Openeye Name: 3-[3-hydroxy-3-methyl-4-(2-propanoylanilino)-1-piperidyl]propanoic acid CAS Name: 3-[3-hydroxy-3-methyl-4-[2-(1-oxopropyl)anilino]-1-piperidinyl]propanoic acid IUPAC Name: 3-[3-hydroxy-3-methyl-4-(2-propanoylanilino)piperidin-1-yl]propanoic acid Traditional Name: 3-[3-hydroxy-3-methyl-4-(2-propionylanilino)piperidino]propionic acid Formula: C18H26N2O4 MolecularWeight: 334.41004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=CC=C1NC2CCN(CC2(C)O)CCC(=O)O

Isomeric SMILES

CCC(=O)C1=CC=CC=C1NC2CCN(CC2(C)O)CCC(=O)O

InChI

InChI=1S/C18H26N2O4/c1-3-15(21)13-6-4-5-7-14(13)19-16-8-10-20(11-9-17(22)23)12-18(16,2)24/h4-7,16,19,24H,3,8-12H2,1-2H3,(H,22,23)