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(1-dodecoxy-1-oxidanylidene-propan-2-yl) 3-[[2-[3,5-bis(oxidanylidene)-1-phenyl-2-(phenylmethyl)-1,2,4-triazolidin-4-yl]-4,4-dimethyl-3-oxidanylidene-pentanoyl]amino]-4-chloranyl-benzoate

(1-dodecoxy-1-oxidanylidene-propan-2-yl) 3-[[2-[3,5-bis(oxidanylidene)-1-phenyl-2-(phenylmethyl)-1,2,4-triazolidin-4-yl]-4,4-dimethyl-3-oxidanylidene-pentanoyl]amino]-4-chloranyl-benzoate

Systemtic Name:(1-dodecoxy-1-oxidanylidene-propan-2-yl) 3-[[2-[3,5-bis(oxidanylidene)-1-phenyl-2-(phenylmethyl)-1,2,4-triazolidin-4-yl]-4,4-dimethyl-3-oxidanylidene-pentanoyl]amino]-4-chloranyl-benzoate
Openeye Name:(2-dodecoxy-1-methyl-2-oxo-ethyl) 3-[[2-(1-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxo-pentanoyl]amino]-4-chloro-benzoate
CAS Name:4-chloro-3-[[2-[3,5-dioxo-1-phenyl-2-(phenylmethyl)-1,2,4-triazolidin-4-yl]-4,4-dimethyl-1,3-dioxopentyl]amino]benzoic acid (1-dodecoxy-1-oxopropan-2-yl) ester
IUPAC Name:(1-dodecoxy-1-oxopropan-2-yl) 3-[[2-(1-benzyl-3,5-dioxo-2-phenyl-1,2,4-triazolidin-4-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-chlorobenzoate
Traditional Name:3-[[2-(1-benzyl-3,5-diketo-2-phenyl-1,2,4-triazolidin-4-yl)-3-keto-4,4-dimethyl-pentanoyl]amino]-4-chloro-benzoic acid (2-keto-2-lauryloxy-1-methyl-ethyl) ester
Formula: C44H55ClN4O8
MolecularWeight: 803.3825
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C(C)OC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C(C)(C)C)N2C(=O)N(N(C2=O)C3=CC=CC=C3)CC4=CC=CC=C4


Isomeric SMILES

CCCCCCCCCCCCOC(=O)C(C)OC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C(C)(C)C)N2C(=O)N(N(C2=O)C3=CC=CC=C3)CC4=CC=CC=C4


InChI

InChI=1S/C44H55ClN4O8/c1-6-7-8-9-10-11-12-13-14-21-28-56-40(52)31(2)57-41(53)33-26-27-35(45)36(29-33)46-39(51)37(38(50)44(3,4)5)48-42(54)47(30-32-22-17-15-18-23-32)49(43(48)55)34-24-19-16-20-25-34/h15-20,22-27,29,31,37H,6-14,21,28,30H2,1-5H3,(H,46,51)


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