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

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[(3,4-dimethoxyphenyl)methyl-(2-morpholinoethyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[(3,4-dimethoxyphenyl)methyl-[2-(4-morpholinyl)ethyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[2-morpholinoethyl(veratryl)carbamoyl]cyclohexanecarboxylic acid Formula: C23H34N2O6 MolecularWeight: 434.52586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CCN2CCOCC2)C(=O)C3CCCCC3C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CCN2CCOCC2)C(=O)C3CCCCC3C(=O)O)OC

InChI

InChI=1S/C23H34N2O6/c1-29-20-8-7-17(15-21(20)30-2)16-25(10-9-24-11-13-31-14-12-24)22(26)18-5-3-4-6-19(18)23(27)28/h7-8,15,18-19H,3-6,9-14,16H2,1-2H3,(H,27,28)