[2-[[2-[8-acetamido-3-(butylcarbamoyl)-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-[8-acetamido-3-(butylcarbamoyl)-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-[[8-acetamido-3-(butylcarbamoyl)-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-[[8-acetamido-3-[butylamino(oxo)methyl]-4-hydroxy-1-naphthalenyl]oxy]-N-methyl-5-nitroanilino]-oxomethyl]-4-methyl-3-oxo-1-phenyl-4-pyrazolidinyl]methyl ester IUPAC Name: [2-[[2-[8-acetamido-3-(butylcarbamoyl)-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-[8-acetamido-3-(butylcarbamoyl)-4-hydroxy-1-naphthoxy]-5-nitro-phenyl]-methyl-carbamoyl]-3-keto-4-methyl-1-phenyl-pyrazolidin-4-yl]methyl ester Formula: C41H46N6O10 MolecularWeight: 782.83814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=C2C(=C1O)C=CC=C2NC(=O)C)OC3=C(C=C(C=C3)[N+](=O)[O-])N(C)C(=O)N4C(=O)C(CN4C5=CC=CC=C5)(C)COC(=O)C(C)(C)C

Isomeric SMILES

CCCCNC(=O)C1=CC(=C2C(=C1O)C=CC=C2NC(=O)C)OC3=C(C=C(C=C3)[N+](=O)[O-])N(C)C(=O)N4C(=O)C(CN4C5=CC=CC=C5)(C)COC(=O)C(C)(C)C

InChI

InChI=1S/C41H46N6O10/c1-8-9-20-42-36(50)29-22-33(34-28(35(29)49)16-13-17-30(34)43-25(2)48)57-32-19-18-27(47(54)55)21-31(32)44(7)39(53)46-37(51)41(6,24-56-38(52)40(3,4)5)23-45(46)26-14-11-10-12-15-26/h10-19,21-22,49H,8-9,20,23-24H2,1-7H3,(H,42,50)(H,43,48)