[2-[[2-[3-[(2-dodecoxy-5-methyl-phenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl]oxy-5-nitro-phenyl]-methyl-carbamoyl]-4-methyl-3-oxidanylidene-1-phenyl-pyrazolidin-4-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [2-[[2-[3-[(2-dodecoxy-5-methyl-phenyl)carbamoyl]-4-oxidanyl-naphthalen-1-yl]oxy-5-nitro-phenyl]-methyl-carbamoyl]-4-methyl-3-oxidanylidene-1-phenyl-pyrazolidin-4-yl]methyl 2,2-dimethylpropanoate Openeye Name: [2-[[2-[[3-[(2-dodecoxy-5-methyl-phenyl)carbamoyl]-4-hydroxy-1-naphthyl]oxy]-5-nitro-phenyl]-methyl-carbamoyl]-4-methyl-3-oxo-1-phenyl-pyrazolidin-4-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-[[2-[[3-[(2-dodecoxy-5-methylanilino)-oxomethyl]-4-hydroxy-1-naphthalenyl]oxy]-N-methyl-5-nitroanilino]-oxomethyl]-4-methyl-3-oxo-1-phenyl-4-pyrazolidinyl]methyl ester IUPAC Name: [2-[[2-[3-[(2-dodecoxy-5-methylphenyl)carbamoyl]-4-hydroxynaphthalen-1-yl]oxy-5-nitrophenyl]-methylcarbamoyl]-4-methyl-3-oxo-1-phenylpyrazolidin-4-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-[[2-[4-hydroxy-3-[(2-lauryloxy-5-methyl-phenyl)carbamoyl]-1-naphthoxy]-5-nitro-phenyl]-methyl-carbamoyl]-3-keto-4-methyl-1-phenyl-pyrazolidin-4-yl]methyl ester Formula: C54H65N5O10 MolecularWeight: 944.1214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C)NC(=O)C2=C(C3=CC=CC=C3C(=C2)OC4=C(C=C(C=C4)[N+](=O)[O-])N(C)C(=O)N5C(=O)C(CN5C6=CC=CC=C6)(C)COC(=O)C(C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C)NC(=O)C2=C(C3=CC=CC=C3C(=C2)OC4=C(C=C(C=C4)[N+](=O)[O-])N(C)C(=O)N5C(=O)C(CN5C6=CC=CC=C6)(C)COC(=O)C(C)(C)C)O

InChI

InChI=1S/C54H65N5O10/c1-8-9-10-11-12-13-14-15-16-22-31-67-45-29-27-37(2)32-43(45)55-49(61)42-34-47(40-25-20-21-26-41(40)48(42)60)69-46-30-28-39(59(65)66)33-44(46)56(7)52(64)58-50(62)54(6,36-68-51(63)53(3,4)5)35-57(58)38-23-18-17-19-24-38/h17-21,23-30,32-34,60H,8-16,22,31,35-36H2,1-7H3,(H,55,61)