methyl 2-hexyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phosphorosooxy-nonanoate

Systemtic Name: methyl 2-hexyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phosphorosooxy-nonanoate Openeye Name: methyl 4-(tert-butoxycarbonylamino)-2-hexyl-3-phosphorosooxy-nonanoate CAS Name: 2-hexyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phosphorosooxynonanoic acid methyl ester IUPAC Name: methyl 2-hexyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phosphorosooxynonanoate Traditional Name: 4-(tert-butoxycarbonylamino)-2-hexyl-3-phosphorosooxy-pelargonic acid methyl ester Formula: C21H40NO6P MolecularWeight: 433.519161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C(CCCCC)NC(=O)OC(C)(C)C)OP=O)C(=O)OC

Isomeric SMILES

CCCCCCC(C(C(CCCCC)NC(=O)OC(C)(C)C)OP=O)C(=O)OC

InChI

InChI=1S/C21H40NO6P/c1-7-9-11-13-14-16(19(23)26-6)18(28-29-25)17(15-12-10-8-2)22-20(24)27-21(3,4)5/h16-18H,7-15H2,1-6H3,(H,22,24)