methyl 3-[1-(octanoylamino)-2-phosphonooxy-ethyl]benzoate

Systemtic Name: methyl 3-[1-(octanoylamino)-2-phosphonooxy-ethyl]benzoate Openeye Name: methyl 3-[1-(octanoylamino)-2-phosphonooxy-ethyl]benzoate CAS Name: 3-[1-(1-oxooctylamino)-2-phosphonooxyethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[1-(octanoylamino)-2-phosphonooxyethyl]benzoate Traditional Name: 3-[1-(caprylylamino)-2-phosphonooxy-ethyl]benzoic acid methyl ester Formula: C18H28NO7P MolecularWeight: 401.391181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(COP(=O)(O)O)C1=CC=CC(=C1)C(=O)OC

Isomeric SMILES

CCCCCCCC(=O)NC(COP(=O)(O)O)C1=CC=CC(=C1)C(=O)OC

InChI

InChI=1S/C18H28NO7P/c1-3-4-5-6-7-11-17(20)19-16(13-26-27(22,23)24)14-9-8-10-15(12-14)18(21)25-2/h8-10,12,16H,3-7,11,13H2,1-2H3,(H,19,20)(H2,22,23,24)