2-[(2,5-dimethoxyphenyl)methyl-prop-2-enyl-carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid

Systemtic Name: 2-[(2,5-dimethoxyphenyl)methyl-prop-2-enyl-carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Openeye Name: 2-[allyl-[(2,5-dimethoxyphenyl)methyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid CAS Name: 2-[[(2,5-dimethoxyphenyl)methyl-prop-2-enylamino]-oxomethyl]-3-bicyclo[2.2.1]hept-5-enecarboxylic acid IUPAC Name: 2-[(2,5-dimethoxyphenyl)methyl-prop-2-enylcarbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Traditional Name: 2-[allyl-(2,5-dimethoxybenzyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN(CC=C)C(=O)C2C3CC(C2C(=O)O)C=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN(CC=C)C(=O)C2C3CC(C2C(=O)O)C=C3

InChI

InChI=1S/C21H25NO5/c1-4-9-22(12-15-11-16(26-2)7-8-17(15)27-3)20(23)18-13-5-6-14(10-13)19(18)21(24)25/h4-8,11,13-14,18-19H,1,9-10,12H2,2-3H3,(H,24,25)