2-[(3,4-dimethoxyphenyl)methyl-prop-2-enyl-carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl-prop-2-enyl-carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[allyl-[(3,4-dimethoxyphenyl)methyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[(3,4-dimethoxyphenyl)methyl-prop-2-enylamino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl-prop-2-enylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[allyl(veratryl)carbamoyl]cyclohexanecarboxylic acid Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC=C)C(=O)C2CCCCC2C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC=C)C(=O)C2CCCCC2C(=O)O)OC

InChI

InChI=1S/C20H27NO5/c1-4-11-21(13-14-9-10-17(25-2)18(12-14)26-3)19(22)15-7-5-6-8-16(15)20(23)24/h4,9-10,12,15-16H,1,5-8,11,13H2,2-3H3,(H,23,24)