methyl 3-[(3R,7aR)-7a-(3-methoxy-3-oxidanylidene-propyl)-3-(4-methoxyphenyl)-5-oxidanylidene-1,3-dihydropyrrolo[1,2-c][1,3]oxazol-6-yl]propanoate

Systemtic Name: methyl 3-[(3R,7aR)-7a-(3-methoxy-3-oxidanylidene-propyl)-3-(4-methoxyphenyl)-5-oxidanylidene-1,3-dihydropyrrolo[1,2-c][1,3]oxazol-6-yl]propanoate Openeye Name: methyl 3-[(3R,7aR)-7a-(3-methoxy-3-oxo-propyl)-3-(4-methoxyphenyl)-5-oxo-1,3-dihydropyrrolo[1,2-c]oxazol-6-yl]propanoate CAS Name: 3-[(3R,7aR)-7a-(3-methoxy-3-oxopropyl)-3-(4-methoxyphenyl)-5-oxo-1,3-dihydropyrrolo[1,2-c]oxazol-6-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[(3R,7aR)-7a-(3-methoxy-3-oxopropyl)-3-(4-methoxyphenyl)-5-oxo-1,3-dihydropyrrolo[1,2-c][1,3]oxazol-6-yl]propanoate Traditional Name: 3-[(3R,7aR)-5-keto-7a-(3-keto-3-methoxy-propyl)-3-(4-methoxyphenyl)-1,3-dihydropyrrolo[1,2-c]oxazol-6-yl]propionic acid methyl ester Formula: C21H25NO7 MolecularWeight: 403.4257

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2N3C(=O)C(=CC3(CO2)CCC(=O)OC)CCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2N3C(=O)C(=C[C@@]3(CO2)CCC(=O)OC)CCC(=O)OC

InChI

InChI=1S/C21H25NO7/c1-26-16-7-4-14(5-8-16)20-22-19(25)15(6-9-17(23)27-2)12-21(22,13-29-20)11-10-18(24)28-3/h4-5,7-8,12,20H,6,9-11,13H2,1-3H3/t20-,21-/m1/s1