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

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[(3,4-dimethoxyphenyl)methyl-(2-furylmethyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[(3,4-dimethoxyphenyl)methyl-(2-furanylmethyl)amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl-(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[2-furfuryl(veratryl)carbamoyl]cyclohexanecarboxylic acid Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)C3CCCCC3C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CC=CO2)C(=O)C3CCCCC3C(=O)O)OC

InChI

InChI=1S/C22H27NO6/c1-27-19-10-9-15(12-20(19)28-2)13-23(14-16-6-5-11-29-16)21(24)17-7-3-4-8-18(17)22(25)26/h5-6,9-12,17-18H,3-4,7-8,13-14H2,1-2H3,(H,25,26)