6-[[3,5-bis(propan-2-yloxycarbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[3,5-bis(propan-2-yloxycarbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[3,5-bis(isopropoxycarbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[3,5-bis[oxo(propan-2-yloxy)methyl]anilino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[3,5-bis(propan-2-yloxycarbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[3,5-bis(isopropoxycarbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C22H27NO7 MolecularWeight: 417.45228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC(=CC(=C1)NC(=O)C2CC=CCC2C(=O)O)C(=O)OC(C)C

Isomeric SMILES

CC(C)OC(=O)C1=CC(=CC(=C1)NC(=O)C2CC=CCC2C(=O)O)C(=O)OC(C)C

InChI

InChI=1S/C22H27NO7/c1-12(2)29-21(27)14-9-15(22(28)30-13(3)4)11-16(10-14)23-19(24)17-7-5-6-8-18(17)20(25)26/h5-6,9-13,17-18H,7-8H2,1-4H3,(H,23,24)(H,25,26)