(4-methoxyphenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate

Systemtic Name: (4-methoxyphenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate Openeye Name: (4-methoxyphenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate CAS Name: 2-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-oxomethyl]-4-[6-(1-imidazolyl)-4-pyrimidinyl]-1-piperazinecarboxylic acid (4-methoxyphenyl) ester IUPAC Name: (4-methoxyphenyl) 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylcarbamoyl)-4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carboxylic acid (4-methoxyphenyl) ester Formula: C29H29N7O6 MolecularWeight: 571.58386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC(=O)N2CCN(CC2C(=O)NCC3=CC4=C(C=C3)OCCO4)C5=NC=NC(=C5)N6C=CN=C6

Isomeric SMILES

COC1=CC=C(C=C1)OC(=O)N2CCN(CC2C(=O)NCC3=CC4=C(C=C3)OCCO4)C5=NC=NC(=C5)N6C=CN=C6

InChI

InChI=1S/C29H29N7O6/c1-39-21-3-5-22(6-4-21)42-29(38)36-11-10-34(26-15-27(33-18-32-26)35-9-8-30-19-35)17-23(36)28(37)31-16-20-2-7-24-25(14-20)41-13-12-40-24/h2-9,14-15,18-19,23H,10-13,16-17H2,1H3,(H,31,37)