2-[[1-oxidanylidene-1-phenylmethoxy-3-(3,4,5-triacetyloxy-6-methyl-oxan-2-yl)oxy-propan-2-yl]amino]oxycarbonylbenzoic acid

Systemtic Name: 2-[[1-oxidanylidene-1-phenylmethoxy-3-(3,4,5-triacetyloxy-6-methyl-oxan-2-yl)oxy-propan-2-yl]amino]oxycarbonylbenzoic acid Openeye Name: 2-[[2-benzyloxy-2-oxo-1-[(3,4,5-triacetoxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]ethyl]amino]oxycarbonylbenzoic acid CAS Name: 2-[oxo-[[1-oxo-1-phenylmethoxy-3-[(3,4,5-triacetyloxy-6-methyl-2-oxanyl)oxy]propan-2-yl]amino]oxymethyl]benzoic acid IUPAC Name: 2-[[1-oxo-1-phenylmethoxy-3-(3,4,5-triacetyloxy-6-methyloxan-2-yl)oxypropan-2-yl]amino]oxycarbonylbenzoic acid Traditional Name: 2-[[2-benzoxy-2-keto-1-[(3,4,5-triacetoxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]ethyl]amino]oxycarbonylbenzoic acid Formula: C30H33NO14 MolecularWeight: 631.58132

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OCC(C(=O)OCC2=CC=CC=C2)NOC(=O)C3=CC=CC=C3C(=O)O)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC1C(C(C(C(O1)OCC(C(=O)OCC2=CC=CC=C2)NOC(=O)C3=CC=CC=C3C(=O)O)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C30H33NO14/c1-16-24(42-17(2)32)25(43-18(3)33)26(44-19(4)34)30(41-16)40-15-23(29(38)39-14-20-10-6-5-7-11-20)31-45-28(37)22-13-9-8-12-21(22)27(35)36/h5-13,16,23-26,30-31H,14-15H2,1-4H3,(H,35,36)