2-methyl-2-[[[[(E)-octadec-9-enyl]amino]-phenyl-methyl]-oxidanyl-phosphoryl]oxy-propanoic acid

Systemtic Name: 2-methyl-2-[[[[(E)-octadec-9-enyl]amino]-phenyl-methyl]-oxidanyl-phosphoryl]oxy-propanoic acid Openeye Name: 2-[hydroxy-[[[(E)-octadec-9-enyl]amino]-phenyl-methyl]phosphoryl]oxy-2-methyl-propanoic acid CAS Name: 2-[hydroxy-[[[(E)-octadec-9-enyl]amino]-phenylmethyl]phosphoryl]oxy-2-methylpropanoic acid IUPAC Name: 2-[hydroxy-[[[(E)-octadec-9-enyl]amino]-phenylmethyl]phosphoryl]oxy-2-methylpropanoic acid Traditional Name: 2-[hydroxy-[[[(E)-octadec-9-enyl]amino]-phenyl-methyl]phosphoryl]oxy-2-methyl-propionic acid Formula: C29H50NO5P MolecularWeight: 523.684761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCNC(C1=CC=CC=C1)P(=O)(O)OC(C)(C)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCNC(C1=CC=CC=C1)P(=O)(O)OC(C)(C)C(=O)O

InChI

InChI=1S/C29H50NO5P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-30-27(26-23-20-19-21-24-26)36(33,34)35-29(2,3)28(31)32/h11-12,19-21,23-24,27,30H,4-10,13-18,22,25H2,1-3H3,(H,31,32)(H,33,34)/b12-11+