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

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[(3,4-dimethoxyphenyl)methyl-(3-morpholinopropyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[(3,4-dimethoxyphenyl)methyl-[3-(4-morpholinyl)propyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl-(3-morpholin-4-ylpropyl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[3-morpholinopropyl(veratryl)carbamoyl]cyclohexanecarboxylic acid Formula: C24H36N2O6 MolecularWeight: 448.55244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CCCN2CCOCC2)C(=O)C3CCCCC3C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CCCN2CCOCC2)C(=O)C3CCCCC3C(=O)O)OC

InChI

InChI=1S/C24H36N2O6/c1-30-21-9-8-18(16-22(21)31-2)17-26(11-5-10-25-12-14-32-15-13-25)23(27)19-6-3-4-7-20(19)24(28)29/h8-9,16,19-20H,3-7,10-15,17H2,1-2H3,(H,28,29)