methyl 3-[(1R,2S)-1-(octanoylamino)-2-phosphonooxy-propyl]benzoate

Systemtic Name: methyl 3-[(1R,2S)-1-(octanoylamino)-2-phosphonooxy-propyl]benzoate Openeye Name: methyl 3-[(1R,2S)-1-(octanoylamino)-2-phosphonooxy-propyl]benzoate CAS Name: 3-[(1R,2S)-1-(1-oxooctylamino)-2-phosphonooxypropyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(1R,2S)-1-(octanoylamino)-2-phosphonooxypropyl]benzoate Traditional Name: 3-[(1R,2S)-1-(caprylylamino)-2-phosphonooxy-propyl]benzoic acid methyl ester Formula: C19H30NO7P MolecularWeight: 415.417761

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC(=O)N[C@H](C1=CC=CC(=C1)C(=O)OC)[C@H](C)OP(=O)(O)O

InChI

InChI=1S/C19H30NO7P/c1-4-5-6-7-8-12-17(21)20-18(14(2)27-28(23,24)25)15-10-9-11-16(13-15)19(22)26-3/h9-11,13-14,18H,4-8,12H2,1-3H3,(H,20,21)(H2,23,24,25)/t14-,18-/m0/s1