6-[[5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]carbamoyl]cyclohex-2-ene-1-carboxylic acid

Systemtic Name: 6-[[5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]carbamoyl]cyclohex-2-ene-1-carboxylic acid Openeye Name: 6-[[5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]carbamoyl]cyclohex-2-ene-1-carboxylic acid CAS Name: 6-[oxo-[[5-[(3,4,5-trimethoxyphenyl)methyl]-2-pyrimidinyl]amino]methyl]-1-cyclohex-2-enecarboxylic acid IUPAC Name: 6-[[5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]carbamoyl]cyclohex-2-ene-1-carboxylic acid Traditional Name: 6-[[5-(3,4,5-trimethoxybenzyl)pyrimidin-2-yl]carbamoyl]cyclohex-2-ene-1-carboxylic acid Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2)NC(=O)C3CCC=CC3C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2)NC(=O)C3CCC=CC3C(=O)O

InChI

InChI=1S/C22H25N3O6/c1-29-17-9-13(10-18(30-2)19(17)31-3)8-14-11-23-22(24-12-14)25-20(26)15-6-4-5-7-16(15)21(27)28/h5,7,9-12,15-16H,4,6,8H2,1-3H3,(H,27,28)(H,23,24,25,26)