4-[[2-methyl-1-(3-phenylpropanoylamino)propyl]-oxidanyl-phosphoryl]oxypiperidine-4-carboxylic acid

Systemtic Name: 4-[[2-methyl-1-(3-phenylpropanoylamino)propyl]-oxidanyl-phosphoryl]oxypiperidine-4-carboxylic acid Openeye Name: 4-[hydroxy-[2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]oxypiperidine-4-carboxylic acid CAS Name: 4-[hydroxy-[2-methyl-1-[(1-oxo-3-phenylpropyl)amino]propyl]phosphoryl]oxy-4-piperidinecarboxylic acid IUPAC Name: 4-[hydroxy-[2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]oxypiperidine-4-carboxylic acid Traditional Name: 4-[[1-(hydrocinnamoylamino)-2-methyl-propyl]-hydroxy-phosphoryl]oxyisonipecotic acid Formula: C19H29N2O6P MolecularWeight: 412.417121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(NC(=O)CCC1=CC=CC=C1)P(=O)(O)OC2(CCNCC2)C(=O)O

Isomeric SMILES

CC(C)C(NC(=O)CCC1=CC=CC=C1)P(=O)(O)OC2(CCNCC2)C(=O)O

InChI

InChI=1S/C19H29N2O6P/c1-14(2)17(21-16(22)9-8-15-6-4-3-5-7-15)28(25,26)27-19(18(23)24)10-12-20-13-11-19/h3-7,14,17,20H,8-13H2,1-2H3,(H,21,22)(H,23,24)(H,25,26)