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: 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: 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: 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: 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: 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: C29H30N4O8 MolecularWeight: 562.5705

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC(=O)N(C=C1)C2C3C(C(O2)COCC4=CC=CC=C4C(=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=CC=CC=C4C(=O)O)O[C@@H](O3)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C29H30N4O8/c1-2-30-28(36)31-22-14-15-33(29(37)32-22)26-25-24(40-23(41-25)13-12-18-8-4-3-5-9-18)21(39-26)17-38-16-19-10-6-7-11-20(19)27(34)35/h3-15,21,23-26H,2,16-17H2,1H3,(H,34,35)(H2,30,31,32,36,37)/b13-12+/t21-,23+,24?,25?,26-/m1/s1