[(E)-1-[4,7-dimethyl-2,5-bis(oxidanylidene)-6-propan-2-yl-1,4,7-triazacycloundec-3-yl]-2-methyl-hex-4-enoxy]methyl dihydrogen phosphate

Systemtic Name: [(E)-1-[4,7-dimethyl-2,5-bis(oxidanylidene)-6-propan-2-yl-1,4,7-triazacycloundec-3-yl]-2-methyl-hex-4-enoxy]methyl dihydrogen phosphate Openeye Name: [(E)-1-(6-isopropyl-4,7-dimethyl-2,5-dioxo-1,4,7-triazacycloundec-3-yl)-2-methyl-hex-4-enoxy]methyl dihydrogen phosphate CAS Name: [(E)-1-(4,7-dimethyl-2,5-dioxo-6-propan-2-yl-1,4,7-triazacycloundec-3-yl)-2-methylhex-4-enoxy]methyl dihydrogen phosphate IUPAC Name: [(E)-1-(4,7-dimethyl-2,5-dioxo-6-propan-2-yl-1,4,7-triazacycloundec-3-yl)-2-methylhex-4-enoxy]methyl dihydrogen phosphate Traditional Name: [(E)-1-(6-isopropyl-2,5-diketo-4,7-dimethyl-1,4,7-triazacycloundec-3-yl)-2-methyl-hex-4-enoxy]methyl dihydrogen phosphate Formula: C21H40N3O7P MolecularWeight: 477.531961

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC(C)C(C1C(=O)NCCCCN(C(C(=O)N1C)C(C)C)C)OCOP(=O)(O)O

Isomeric SMILES

C/C=C/CC(C)C(C1C(=O)NCCCCN(C(C(=O)N1C)C(C)C)C)OCOP(=O)(O)O

InChI

InChI=1S/C21H40N3O7P/c1-7-8-11-16(4)19(30-14-31-32(27,28)29)18-20(25)22-12-9-10-13-23(5)17(15(2)3)21(26)24(18)6/h7-8,15-19H,9-14H2,1-6H3,(H,22,25)(H2,27,28,29)/b8-7+