[(2R,3R,7S)-2,8-dimethyl-1-[(4R,5S)-4-methyl-2-oxidanylidene-5-phenyl-1,3-oxazolidin-3-yl]-1-oxidanylidene-7-phenylmethoxy-nonan-3-yl] 4-nitrobenzoate

Systemtic Name: [(2R,3R,7S)-2,8-dimethyl-1-[(4R,5S)-4-methyl-2-oxidanylidene-5-phenyl-1,3-oxazolidin-3-yl]-1-oxidanylidene-7-phenylmethoxy-nonan-3-yl] 4-nitrobenzoate Openeye Name: [(1R,5S)-5-benzyloxy-6-methyl-1-[(1R)-1-methyl-2-[(4R,5S)-4-methyl-2-oxo-5-phenyl-oxazolidin-3-yl]-2-oxo-ethyl]heptyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2R,3R,7S)-2,8-dimethyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-3-oxazolidinyl]-1-oxo-7-phenylmethoxynonan-3-yl] ester IUPAC Name: [(2R,3R,7S)-2,8-dimethyl-1-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-1-oxo-7-phenylmethoxynonan-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(1R,5S)-5-benzoxy-1-[(1R)-2-keto-2-[(4R,5S)-2-keto-4-methyl-5-phenyl-oxazolidin-3-yl]-1-methyl-ethyl]-6-methyl-heptyl] ester Formula: C35H40N2O8 MolecularWeight: 616.7007

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(=O)N1C(=O)C(C)C(CCCC(C(C)C)OCC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C[C@@H]1[C@@H](OC(=O)N1C(=O)[C@H](C)[C@@H](CCC[C@@H](C(C)C)OCC2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C35H40N2O8/c1-23(2)30(43-22-26-12-7-5-8-13-26)16-11-17-31(44-34(39)28-18-20-29(21-19-28)37(41)42)24(3)33(38)36-25(4)32(45-35(36)40)27-14-9-6-10-15-27/h5-10,12-15,18-21,23-25,30-32H,11,16-17,22H2,1-4H3/t24-,25-,30+,31-,32-/m1/s1