methyl 3-azanyl-5-[[(3R,5R)-1,3,4,5-tetraacetyloxycyclohexyl]carbonylamino]benzoate

Systemtic Name: methyl 3-azanyl-5-[[(3R,5R)-1,3,4,5-tetraacetyloxycyclohexyl]carbonylamino]benzoate Openeye Name: methyl 3-amino-5-[[(3R,5R)-1,3,4,5-tetraacetoxycyclohexanecarbonyl]amino]benzoate CAS Name: 3-amino-5-[[oxo-[(3R,5R)-1,3,4,5-tetraacetyloxycyclohexyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-amino-5-[[(3R,5R)-1,3,4,5-tetraacetyloxycyclohexanecarbonyl]amino]benzoate Traditional Name: 3-amino-5-[[(3R,5R)-1,3,4,5-tetraacetoxycyclohexanecarbonyl]amino]benzoic acid methyl ester Formula: C23H28N2O11 MolecularWeight: 508.47522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CC(CC(C1OC(=O)C)OC(=O)C)(C(=O)NC2=CC(=CC(=C2)N)C(=O)OC)OC(=O)C

Isomeric SMILES

CC(=O)O[C@@H]1CC(C[C@H](C1OC(=O)C)OC(=O)C)(C(=O)NC2=CC(=CC(=C2)N)C(=O)OC)OC(=O)C

InChI

InChI=1S/C23H28N2O11/c1-11(26)33-18-9-23(36-14(4)29,10-19(34-12(2)27)20(18)35-13(3)28)22(31)25-17-7-15(21(30)32-5)6-16(24)8-17/h6-8,18-20H,9-10,24H2,1-5H3,(H,25,31)/t18-,19-,20?,23?/m1/s1