(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-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 (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-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 (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C19H21ClN2O5 MolecularWeight: 392.83344

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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)OCCCO3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C)CCC(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C19H21ClN2O5/c1-11-14(19(24)22-12(2)21-11)4-5-17(23)27-10-13-8-15(20)18-16(9-13)25-6-3-7-26-18/h8-9H,3-7,10H2,1-2H3,(H,21,22,24)