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

Systemtic Name: 2-[(3,4-dimethoxyphenyl)-(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[(3,4-dimethoxyphenyl)-(2-furylmethyl)carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[N-(2-furanylmethyl)-3,4-dimethoxyanilino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[(3,4-dimethoxyphenyl)-(furan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[(3,4-dimethoxyphenyl)-(2-furfuryl)carbamoyl]cyclohexanecarboxylic acid Formula: C21H25NO6 MolecularWeight: 387.4263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6/c1-26-18-10-9-14(12-19(18)27-2)22(13-15-6-5-11-28-15)20(23)16-7-3-4-8-17(16)21(24)25/h5-6,9-12,16-17H,3-4,7-8,13H2,1-2H3,(H,24,25)