ethyl 2-[3-[1-(octanoylamino)-2-phosphonooxy-ethyl]phenoxy]ethanoate

Systemtic Name: ethyl 2-[3-[1-(octanoylamino)-2-phosphonooxy-ethyl]phenoxy]ethanoate Openeye Name: ethyl 2-[3-[1-(octanoylamino)-2-phosphonooxy-ethyl]phenoxy]acetate CAS Name: 2-[3-[1-(1-oxooctylamino)-2-phosphonooxyethyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[1-(octanoylamino)-2-phosphonooxyethyl]phenoxy]acetate Traditional Name: 2-[3-[1-(caprylylamino)-2-phosphonooxy-ethyl]phenoxy]acetic acid ethyl ester Formula: C20H32NO8P MolecularWeight: 445.443741

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(COP(=O)(O)O)C1=CC(=CC=C1)OCC(=O)OCC

Isomeric SMILES

CCCCCCCC(=O)NC(COP(=O)(O)O)C1=CC(=CC=C1)OCC(=O)OCC

InChI

InChI=1S/C20H32NO8P/c1-3-5-6-7-8-12-19(22)21-18(14-29-30(24,25)26)16-10-9-11-17(13-16)28-15-20(23)27-4-2/h9-11,13,18H,3-8,12,14-15H2,1-2H3,(H,21,22)(H2,24,25,26)