2-[[(2S,4R,6R)-4-[4-(cyclopropylcarbamoylamino)-2-oxidanylidene-pyrimidin-1-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]-3-fluoranyl-benzoic acid

Systemtic Name: 2-[[(2S,4R,6R)-4-[4-(cyclopropylcarbamoylamino)-2-oxidanylidene-pyrimidin-1-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]-3-fluoranyl-benzoic acid Openeye Name: 2-[[(2S,4R,6R)-4-[4-(cyclopropylcarbamoylamino)-2-oxo-pyrimidin-1-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]-3-fluoro-benzoic acid CAS Name: 2-[[(2S,4R,6R)-4-[4-[[(cyclopropylamino)-oxomethyl]amino]-2-oxo-1-pyrimidinyl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]-3-fluorobenzoic acid IUPAC Name: 2-[[(2S,4R,6R)-4-[4-(cyclopropylcarbamoylamino)-2-oxopyrimidin-1-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]-3-fluorobenzoic acid Traditional Name: 2-[[(2S,4R,6R)-4-[4-(cyclopropylcarbamoylamino)-2-keto-pyrimidin-1-yl]-2-phenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]-3-fluoro-benzoic acid Formula: C28H27FN4O8 MolecularWeight: 566.534383

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)NC2=NC(=O)N(C=C2)C3C4C(C(O3)COCC5=C(C=CC=C5F)C(=O)O)OC(O4)C6=CC=CC=C6

Isomeric SMILES

C1CC1NC(=O)NC2=NC(=O)N(C=C2)[C@H]3C4C([C@H](O3)COCC5=C(C=CC=C5F)C(=O)O)O[C@@H](O4)C6=CC=CC=C6

InChI

InChI=1S/C28H27FN4O8/c29-19-8-4-7-17(25(34)35)18(19)13-38-14-20-22-23(41-26(40-22)15-5-2-1-3-6-15)24(39-20)33-12-11-21(32-28(33)37)31-27(36)30-16-9-10-16/h1-8,11-12,16,20,22-24,26H,9-10,13-14H2,(H,34,35)(H2,30,31,32,36,37)/t20-,22?,23?,24-,26+/m1/s1