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

Systemtic Name: (1-dodecoxy-1-oxidanylidene-propan-2-yl) 3-[[2-[3,5-bis(oxidanylidene)-2-phenyl-1-(phenylmethyl)imidazolidin-3-ium-4-yl]-2-chloranyl-4,4-dimethyl-3-oxidanylidene-pentanoyl]amino]benzoate Openeye Name: (2-dodecoxy-1-methyl-2-oxo-ethyl) 3-[[2-(1-benzyl-3,5-dioxo-2-phenyl-imidazolidin-3-ium-4-yl)-2-chloro-4,4-dimethyl-3-oxo-pentanoyl]amino]benzoate CAS Name: 3-[[2-chloro-2-[3,5-dioxo-2-phenyl-1-(phenylmethyl)-4-imidazolidin-3-iumyl]-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-phenylimidazolidin-3-ium-4-yl)-2-chloro-4,4-dimethyl-3-oxopentanoyl]amino]benzoate Traditional Name: 3-[[2-(1-benzyl-3,5-diketo-2-phenyl-imidazolidin-3-ium-4-yl)-2-chloro-3-keto-4,4-dimethyl-pentanoyl]amino]benzoic acid (2-keto-2-lauryloxy-1-methyl-ethyl) ester Formula: C45H57ClN3O8+ MolecularWeight: 803.40238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C(C)OC(=O)C1=CC(=CC=C1)NC(=O)C(C2C(=O)N(C([N+]2=O)C3=CC=CC=C3)CC4=CC=CC=C4)(C(=O)C(C)(C)C)Cl

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C(C)OC(=O)C1=CC(=CC=C1)NC(=O)C(C2C(=O)N(C([N+]2=O)C3=CC=CC=C3)CC4=CC=CC=C4)(C(=O)C(C)(C)C)Cl

InChI

InChI=1S/C45H56ClN3O8/c1-6-7-8-9-10-11-12-13-14-21-29-56-40(51)32(2)57-41(52)35-27-22-28-36(30-35)47-43(54)45(46,42(53)44(3,4)5)37-39(50)48(31-33-23-17-15-18-24-33)38(49(37)55)34-25-19-16-20-26-34/h15-20,22-28,30,32,37-38H,6-14,21,29,31H2,1-5H3/p+1