7-[4-[5-(phenylcarbonyloxy)-2,6-dipyrrolidin-1-yl-pyrimidin-4-yl]piperazin-1-yl]heptanoic acid

Systemtic Name: 7-[4-[5-(phenylcarbonyloxy)-2,6-dipyrrolidin-1-yl-pyrimidin-4-yl]piperazin-1-yl]heptanoic acid Openeye Name: 7-[4-(5-benzoyloxy-2,6-dipyrrolidin-1-yl-pyrimidin-4-yl)piperazin-1-yl]heptanoic acid CAS Name: 7-[4-[5-benzoyloxy-2,6-bis(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperazinyl]heptanoic acid IUPAC Name: 7-[4-(5-benzoyloxy-2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]heptanoic acid Traditional Name: 7-[4-(5-benzoyloxy-2,6-dipyrrolidino-pyrimidin-4-yl)piperazino]enanthic acid Formula: C30H42N6O4 MolecularWeight: 550.69228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=NC(=N2)N3CCCC3)N4CCN(CC4)CCCCCCC(=O)O)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C2=C(C(=NC(=N2)N3CCCC3)N4CCN(CC4)CCCCCCC(=O)O)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H42N6O4/c37-25(38)14-6-1-2-7-15-33-20-22-35(23-21-33)28-26(40-29(39)24-12-4-3-5-13-24)27(34-16-8-9-17-34)31-30(32-28)36-18-10-11-19-36/h3-5,12-13H,1-2,6-11,14-23H2,(H,37,38)