3-chloranyl-2-[[(2S,4R,6R)-4-[4-(ethylcarbamoylamino)-2-oxidanylidene-pyrimidin-1-yl]-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]benzoic acid

Systemtic Name: 3-chloranyl-2-[[(2S,4R,6R)-4-[4-(ethylcarbamoylamino)-2-oxidanylidene-pyrimidin-1-yl]-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]benzoic acid Openeye Name: 3-chloro-2-[[(2S,4R,6R)-4-[4-(ethylcarbamoylamino)-2-oxo-pyrimidin-1-yl]-2-[(E)-styryl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]benzoic acid CAS Name: 3-chloro-2-[[(2S,4R,6R)-4-[4-(ethylcarbamoylamino)-2-oxo-1-pyrimidinyl]-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]benzoic acid IUPAC Name: 3-chloro-2-[[(2S,4R,6R)-4-[4-(ethylcarbamoylamino)-2-oxopyrimidin-1-yl]-2-[(E)-2-phenylethenyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]benzoic acid Traditional Name: 3-chloro-2-[[(2S,4R,6R)-4-[4-(ethylcarbamoylamino)-2-keto-pyrimidin-1-yl]-2-[(E)-styryl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxymethyl]benzoic acid Formula: C29H29ClN4O8 MolecularWeight: 597.01556

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC(=O)N(C=C1)C2C3C(C(O2)COCC4=C(C=CC=C4Cl)C(=O)O)OC(O3)C=CC5=CC=CC=C5

Isomeric SMILES

CCNC(=O)NC1=NC(=O)N(C=C1)[C@H]2C3C([C@H](O2)COCC4=C(C=CC=C4Cl)C(=O)O)O[C@@H](O3)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C29H29ClN4O8/c1-2-31-28(37)32-22-13-14-34(29(38)33-22)26-25-24(41-23(42-25)12-11-17-7-4-3-5-8-17)21(40-26)16-39-15-19-18(27(35)36)9-6-10-20(19)30/h3-14,21,23-26H,2,15-16H2,1H3,(H,35,36)(H2,31,32,33,37,38)/b12-11+/t21-,23+,24?,25?,26-/m1/s1