2-[(3,4-dimethoxyphenyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-3-carboxylic acid

Systemtic Name: 2-[(3,4-dimethoxyphenyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-3-carboxylic acid Openeye Name: 2-[(3,4-dimethoxyphenyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-3-carboxylic acid CAS Name: 2-[(3,4-dimethoxyanilino)-oxomethyl]-3-bicyclo[2.2.2]oct-5-enecarboxylic acid IUPAC Name: 2-[(3,4-dimethoxyphenyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-3-carboxylic acid Traditional Name: 2-[(3,4-dimethoxyphenyl)carbamoyl]bicyclo[2.2.2]oct-5-ene-3-carboxylic acid Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2C3CCC(C2C(=O)O)C=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2C3CCC(C2C(=O)O)C=C3)OC

InChI

InChI=1S/C18H21NO5/c1-23-13-8-7-12(9-14(13)24-2)19-17(20)15-10-3-5-11(6-4-10)16(15)18(21)22/h3,5,7-11,15-16H,4,6H2,1-2H3,(H,19,20)(H,21,22)