methyl 2-[3-(1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl)-2-oxidanylidene-4,7-dihydro-1,3,2-diazaphosphepin-2-ium-1-yl]-4-methyl-pentanoate

Systemtic Name: methyl 2-[3-(1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl)-2-oxidanylidene-4,7-dihydro-1,3,2-diazaphosphepin-2-ium-1-yl]-4-methyl-pentanoate Openeye Name: methyl 2-[3-(1-methoxycarbonyl-3-methyl-butyl)-2-oxo-4,7-dihydro-1,3,2-diazaphosphepin-2-ium-1-yl]-4-methyl-pentanoate CAS Name: 2-[3-(1-methoxy-4-methyl-1-oxopentan-2-yl)-2-oxo-4,7-dihydro-1,3,2-diazaphosphepin-2-ium-1-yl]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[3-(1-methoxy-4-methyl-1-oxopentan-2-yl)-2-oxo-4,7-dihydro-1,3,2-diazaphosphepin-2-ium-1-yl]-4-methylpentanoate Traditional Name: 2-[3-(1-carbomethoxy-3-methyl-butyl)-2-keto-4,7-dihydro-1,3,2-diazaphosphepin-2-ium-1-yl]-4-methyl-valeric acid methyl ester Formula: C18H32N2O5P+ MolecularWeight: 387.430841

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)N1CC=CCN([P+]1=O)C(CC(C)C)C(=O)OC

Isomeric SMILES

CC(C)CC(C(=O)OC)N1CC=CCN([P+]1=O)C(CC(C)C)C(=O)OC

InChI

InChI=1S/C18H32N2O5P/c1-13(2)11-15(17(21)24-5)19-9-7-8-10-20(26(19)23)16(12-14(3)4)18(22)25-6/h7-8,13-16H,9-12H2,1-6H3/q+1