(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanoate CAS Name: 3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(2,6-dimethyl-4-oxo-1H-pyrimidin-5-yl)propanoate Traditional Name: 3-(4-keto-2,6-dimethyl-1H-pyrimidin-5-yl)propionic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C18H19ClN2O5 MolecularWeight: 378.80686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C)CCC(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C)CCC(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3

InChI

InChI=1S/C18H19ClN2O5/c1-10-13(18(23)21-11(2)20-10)3-4-16(22)26-9-12-7-14(19)17-15(8-12)24-5-6-25-17/h7-8H,3-6,9H2,1-2H3,(H,20,21,23)