methyl 2-[[3-(3-methoxy-3-oxidanylidene-propyl)-3-oxidanyl-6-oxidanylidene-cyclohexen-1-yl]carbamoyl]-1,3-benzoxazole-5-carboxylate

Systemtic Name: methyl 2-[[3-(3-methoxy-3-oxidanylidene-propyl)-3-oxidanyl-6-oxidanylidene-cyclohexen-1-yl]carbamoyl]-1,3-benzoxazole-5-carboxylate Openeye Name: methyl 2-[[3-hydroxy-3-(3-methoxy-3-oxo-propyl)-6-oxo-cyclohexen-1-yl]carbamoyl]-1,3-benzoxazole-5-carboxylate CAS Name: 2-[[[3-hydroxy-3-(3-methoxy-3-oxopropyl)-6-oxo-1-cyclohexenyl]amino]-oxomethyl]-1,3-benzoxazole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[[3-hydroxy-3-(3-methoxy-3-oxopropyl)-6-oxocyclohexen-1-yl]carbamoyl]-1,3-benzoxazole-5-carboxylate Traditional Name: 2-[[3-hydroxy-6-keto-3-(3-keto-3-methoxy-propyl)cyclohexen-1-yl]carbamoyl]-1,3-benzoxazole-5-carboxylic acid methyl ester Formula: C20H20N2O8 MolecularWeight: 416.3814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1(CCC(=O)C(=C1)NC(=O)C2=NC3=C(O2)C=CC(=C3)C(=O)OC)O

Isomeric SMILES

COC(=O)CCC1(CCC(=O)C(=C1)NC(=O)C2=NC3=C(O2)C=CC(=C3)C(=O)OC)O

InChI

InChI=1S/C20H20N2O8/c1-28-16(24)6-8-20(27)7-5-14(23)13(10-20)21-17(25)18-22-12-9-11(19(26)29-2)3-4-15(12)30-18/h3-4,9-10,27H,5-8H2,1-2H3,(H,21,25)