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

Systemtic Name: methyl 2-[3-[(1R,2S)-1-(octanoylamino)-2-phosphonooxy-propyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[(1R,2S)-1-(octanoylamino)-2-phosphonooxy-propyl]phenyl]acetate CAS Name: 2-[3-[(1R,2S)-1-(1-oxooctylamino)-2-phosphonooxypropyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(1R,2S)-1-(octanoylamino)-2-phosphonooxypropyl]phenyl]acetate Traditional Name: 2-[3-[(1R,2S)-1-(caprylylamino)-2-phosphonooxy-propyl]phenyl]acetic acid methyl ester Formula: C20H32NO7P MolecularWeight: 429.444341

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H32NO7P/c1-4-5-6-7-8-12-18(22)21-20(15(2)28-29(24,25)26)17-11-9-10-16(13-17)14-19(23)27-3/h9-11,13,15,20H,4-8,12,14H2,1-3H3,(H,21,22)(H2,24,25,26)/t15-,20-/m0/s1