2-[2-methylpropyl-(3-phenylpropanoylamino)oxy-phosphoryl]oxy-4-piperidin-4-yl-butanoic acid

Systemtic Name: 2-[2-methylpropyl-(3-phenylpropanoylamino)oxy-phosphoryl]oxy-4-piperidin-4-yl-butanoic acid Openeye Name: 2-[isobutyl-(3-phenylpropanoylamino)oxy-phosphoryl]oxy-4-(4-piperidyl)butanoic acid CAS Name: 2-[2-methylpropyl-[(1-oxo-3-phenylpropyl)amino]oxyphosphoryl]oxy-4-(4-piperidinyl)butanoic acid IUPAC Name: 2-[2-methylpropyl-(3-phenylpropanoylamino)oxyphosphoryl]oxy-4-piperidin-4-ylbutanoic acid Traditional Name: 2-[(hydrocinnamoylamino)oxy-isobutyl-phosphoryl]oxy-4-(4-piperidyl)butyric acid Formula: C22H35N2O6P MolecularWeight: 454.496861

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CP(=O)(OC(CCC1CCNCC1)C(=O)O)ONC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)CP(=O)(OC(CCC1CCNCC1)C(=O)O)ONC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C22H35N2O6P/c1-17(2)16-31(28,30-24-21(25)11-9-18-6-4-3-5-7-18)29-20(22(26)27)10-8-19-12-14-23-15-13-19/h3-7,17,19-20,23H,8-16H2,1-2H3,(H,24,25)(H,26,27)