2-[5-[6-[4-tert-butyl-6-(cyclohexylmethoxy)pyrimidin-2-yl]naphthalen-2-yl]oxypentyl]propanedioic acid

Systemtic Name: 2-[5-[6-[4-tert-butyl-6-(cyclohexylmethoxy)pyrimidin-2-yl]naphthalen-2-yl]oxypentyl]propanedioic acid Openeye Name: 2-[5-[[6-[4-tert-butyl-6-(cyclohexylmethoxy)pyrimidin-2-yl]-2-naphthyl]oxy]pentyl]propanedioic acid CAS Name: 2-[5-[[6-[4-tert-butyl-6-(cyclohexylmethoxy)-2-pyrimidinyl]-2-naphthalenyl]oxy]pentyl]propanedioic acid IUPAC Name: 2-[5-[6-[4-tert-butyl-6-(cyclohexylmethoxy)pyrimidin-2-yl]naphthalen-2-yl]oxypentyl]propanedioic acid Traditional Name: 2-[5-[6-[4-tert-butyl-6-(cyclohexylmethoxy)pyrimidin-2-yl]-2-naphthoxy]pentyl]malonic acid Formula: C33H42N2O6 MolecularWeight: 562.69638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NC(=N1)C2=CC3=C(C=C2)C=C(C=C3)OCCCCCC(C(=O)O)C(=O)O)OCC4CCCCC4

Isomeric SMILES

CC(C)(C)C1=CC(=NC(=N1)C2=CC3=C(C=C2)C=C(C=C3)OCCCCCC(C(=O)O)C(=O)O)OCC4CCCCC4

InChI

InChI=1S/C33H42N2O6/c1-33(2,3)28-20-29(41-21-22-10-6-4-7-11-22)35-30(34-28)25-14-13-24-19-26(16-15-23(24)18-25)40-17-9-5-8-12-27(31(36)37)32(38)39/h13-16,18-20,22,27H,4-12,17,21H2,1-3H3,(H,36,37)(H,38,39)