2-[(3-hexoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid

Systemtic Name: 2-[(3-hexoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Openeye Name: 2-[(3-hexoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid CAS Name: 2-[(3-hexoxyanilino)-oxomethyl]-3-bicyclo[2.2.1]hept-5-enecarboxylic acid IUPAC Name: 2-[(3-hexoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Traditional Name: 2-[(3-hexoxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Formula: C21H27NO4 MolecularWeight: 357.44338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)NC(=O)C2C3CC(C2C(=O)O)C=C3

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)NC(=O)C2C3CC(C2C(=O)O)C=C3

InChI

InChI=1S/C21H27NO4/c1-2-3-4-5-11-26-17-8-6-7-16(13-17)22-20(23)18-14-9-10-15(12-14)19(18)21(24)25/h6-10,13-15,18-19H,2-5,11-12H2,1H3,(H,22,23)(H,24,25)