tert-butyl (6R)-6-[5-(5-ethylpyridin-2-yl)-6-phenyl-furo[2,3-d]pyrimidin-4-yl]oxyheptanoate

Systemtic Name: tert-butyl (6R)-6-[5-(5-ethylpyridin-2-yl)-6-phenyl-furo[2,3-d]pyrimidin-4-yl]oxyheptanoate Openeye Name: tert-butyl (6R)-6-[5-(5-ethyl-2-pyridyl)-6-phenyl-furo[2,3-d]pyrimidin-4-yl]oxyheptanoate CAS Name: (6R)-6-[[5-(5-ethyl-2-pyridinyl)-6-phenyl-4-furo[2,3-d]pyrimidinyl]oxy]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl (6R)-6-[5-(5-ethylpyridin-2-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyheptanoate Traditional Name: (6R)-6-[5-(5-ethyl-2-pyridyl)-6-phenyl-furo[2,3-d]pyrimidin-4-yl]oxyenanthic acid tert-butyl ester Formula: C30H35N3O4 MolecularWeight: 501.6166

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C2=C(OC3=C2C(=NC=N3)OC(C)CCCCC(=O)OC(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CCC1=CN=C(C=C1)C2=C(OC3=C2C(=NC=N3)O[C@H](C)CCCCC(=O)OC(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C30H35N3O4/c1-6-21-16-17-23(31-18-21)25-26-28(35-20(2)12-10-11-15-24(34)37-30(3,4)5)32-19-33-29(26)36-27(25)22-13-8-7-9-14-22/h7-9,13-14,16-20H,6,10-12,15H2,1-5H3/t20-/m1/s1