6-[[3,5-bis(ethoxycarbonyl)phenyl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[3,5-bis(ethoxycarbonyl)phenyl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[3,5-bis(ethoxycarbonyl)phenyl]carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[3,5-bis(ethoxycarbonyl)anilino]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[3,5-bis(ethoxycarbonyl)phenyl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[(3,5-dicarbethoxyphenyl)carbamoyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid Formula: C22H27NO7 MolecularWeight: 417.45228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2CC(=C(CC2C(=O)O)C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2CC(=C(CC2C(=O)O)C)C)C(=O)OCC

InChI

InChI=1S/C22H27NO7/c1-5-29-21(27)14-9-15(22(28)30-6-2)11-16(10-14)23-19(24)17-7-12(3)13(4)8-18(17)20(25)26/h9-11,17-18H,5-8H2,1-4H3,(H,23,24)(H,25,26)