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

Systemtic Name: 2-[(2,3-dimethoxyphenyl)methyl-prop-2-enyl-carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Openeye Name: 2-[allyl-[(2,3-dimethoxyphenyl)methyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid CAS Name: 2-[[(2,3-dimethoxyphenyl)methyl-prop-2-enylamino]-oxomethyl]-3-bicyclo[2.2.1]hept-5-enecarboxylic acid IUPAC Name: 2-[(2,3-dimethoxyphenyl)methyl-prop-2-enylcarbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid Traditional Name: 2-[allyl(o-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=CC=CC(=C1OC)CN(CC=C)C(=O)C2C3CC(C2C(=O)O)C=C3

Isomeric SMILES

COC1=CC=CC(=C1OC)CN(CC=C)C(=O)C2C3CC(C2C(=O)O)C=C3

InChI

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