(E,3R,5S)-7-[3-butan-2-yl-5-(4-fluorophenyl)-1-(2-phenylazanylpyrimidin-4-yl)pyrazol-4-yl]-3,5-bis(oxidanyl)hept-6-enoic acid

Systemtic Name: (E,3R,5S)-7-[3-butan-2-yl-5-(4-fluorophenyl)-1-(2-phenylazanylpyrimidin-4-yl)pyrazol-4-yl]-3,5-bis(oxidanyl)hept-6-enoic acid Openeye Name: (E,3R,5S)-7-[1-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-3-sec-butyl-pyrazol-4-yl]-3,5-dihydroxy-hept-6-enoic acid CAS Name: (E,3R,5S)-7-[1-(2-anilino-4-pyrimidinyl)-3-butan-2-yl-5-(4-fluorophenyl)-4-pyrazolyl]-3,5-dihydroxy-6-heptenoic acid IUPAC Name: (E,3R,5S)-7-[1-(2-anilinopyrimidin-4-yl)-3-butan-2-yl-5-(4-fluorophenyl)pyrazol-4-yl]-3,5-dihydroxyhept-6-enoic acid Traditional Name: (E,3R,5S)-7-[1-(2-anilinopyrimidin-4-yl)-5-(4-fluorophenyl)-3-sec-butyl-pyrazol-4-yl]-3,5-dihydroxy-hept-6-enoic acid Formula: C30H32FN5O4 MolecularWeight: 545.604583

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NN(C(=C1C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=NC(=NC=C3)NC4=CC=CC=C4

Isomeric SMILES

CCC(C)C1=NN(C(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=NC(=NC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C30H32FN5O4/c1-3-19(2)28-25(14-13-23(37)17-24(38)18-27(39)40)29(20-9-11-21(31)12-10-20)36(35-28)26-15-16-32-30(34-26)33-22-7-5-4-6-8-22/h4-16,19,23-24,37-38H,3,17-18H2,1-2H3,(H,39,40)(H,32,33,34)/b14-13+/t19?,23-,24-/m1/s1