N-[(1S,2R)-3-[bis(4-methoxyphenyl)-phenyl-methoxy]-1-(4-nitrophenyl)-1-oxidanyl-propan-2-yl]-2-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethanamide

Systemtic Name: N-[(1S,2R)-3-[bis(4-methoxyphenyl)-phenyl-methoxy]-1-(4-nitrophenyl)-1-oxidanyl-propan-2-yl]-2-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethanamide Openeye Name: N-[(1R,2S)-1-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-(5-methyl-2,4-dioxo-pyrimidin-1-yl)acetamide CAS Name: N-[(1S,2R)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-1-hydroxy-1-(4-nitrophenyl)propan-2-yl]-2-(5-methyl-2,4-dioxo-1-pyrimidinyl)acetamide IUPAC Name: N-[(1S,2R)-3-[bis(4-methoxyphenyl)-phenylmethoxy]-1-hydroxy-1-(4-nitrophenyl)propan-2-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide Traditional Name: N-[(1R,2S)-1-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-2-hydroxy-2-(4-nitrophenyl)ethyl]-2-(2,4-diketo-5-methyl-pyrimidin-1-yl)acetamide Formula: C37H36N4O9 MolecularWeight: 680.70314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)CC(=O)NC(COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)C(C5=CC=C(C=C5)[N+](=O)[O-])O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)CC(=O)N[C@H](COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)[C@H](C5=CC=C(C=C5)[N+](=O)[O-])O

InChI

InChI=1S/C37H36N4O9/c1-24-21-40(36(45)39-35(24)44)22-33(42)38-32(34(43)25-9-15-29(16-10-25)41(46)47)23-50-37(26-7-5-4-6-8-26,27-11-17-30(48-2)18-12-27)28-13-19-31(49-3)20-14-28/h4-21,32,34,43H,22-23H2,1-3H3,(H,38,42)(H,39,44,45)/t32-,34+/m1/s1