[3-ethyl-5-methyl-7-(4-octylphenyl)-5-(phenylmethoxycarbonylamino)heptan-3-yl]phosphonic acid

Systemtic Name: [3-ethyl-5-methyl-7-(4-octylphenyl)-5-(phenylmethoxycarbonylamino)heptan-3-yl]phosphonic acid Openeye Name: [3-(benzyloxycarbonylamino)-1,1-diethyl-3-methyl-5-(4-octylphenyl)pentyl]phosphonic acid CAS Name: [3-ethyl-5-methyl-7-(4-octylphenyl)-5-(phenylmethoxycarbonylamino)heptan-3-yl]phosphonic acid IUPAC Name: [3-ethyl-5-methyl-7-(4-octylphenyl)-5-(phenylmethoxycarbonylamino)heptan-3-yl]phosphonic acid Traditional Name: [3-(benzyloxycarbonylamino)-1,1-diethyl-3-methyl-5-(4-octylphenyl)pentyl]phosphonic acid Formula: C32H50NO5P MolecularWeight: 559.716861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)CCC(C)(CC(CC)(CC)P(=O)(O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)CCC(C)(CC(CC)(CC)P(=O)(O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C32H50NO5P/c1-5-8-9-10-11-13-16-27-19-21-28(22-20-27)23-24-31(4,26-32(6-2,7-3)39(35,36)37)33-30(34)38-25-29-17-14-12-15-18-29/h12,14-15,17-22H,5-11,13,16,23-26H2,1-4H3,(H,33,34)(H2,35,36,37)