2-[(3,4-dimethoxyphenyl)methyl-prop-2-enyl-carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl-prop-2-enyl-carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Openeye Name: 2-[allyl-[(3,4-dimethoxyphenyl)methyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid CAS Name: 2-[[(3,4-dimethoxyphenyl)methyl-prop-2-enylamino]-oxomethyl]-3-bicyclo[2.2.1]hept-5-enecarboxylic acid IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl-prop-2-enylcarbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Traditional Name: 2-[allyl(veratryl)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=C(C=C(C=C1)CN(CC=C)C(=O)C2C3CC(C2C(=O)O)C=C3)OC

Isomeric SMILES

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

InChI

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