[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxidanylidene-ethyl] 3-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoate

Systemtic Name: [2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxidanylidene-ethyl] 3-(2,6-dimethyl-4-oxidanylidene-1H-pyrimidin-5-yl)propanoate Openeye Name: [2-[1-(benzofuran-2-yl)ethylamino]-2-oxo-ethyl] 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 [2-[1-(2-benzofuranyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl] 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 [2-[1-(benzofuran-2-yl)ethylamino]-2-keto-ethyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)C)CCC(=O)OCC(=O)NC(C)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CC1=C(C(=O)N=C(N1)C)CCC(=O)OCC(=O)NC(C)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C21H23N3O5/c1-12-16(21(27)24-14(3)22-12)8-9-20(26)28-11-19(25)23-13(2)18-10-15-6-4-5-7-17(15)29-18/h4-7,10,13H,8-9,11H2,1-3H3,(H,23,25)(H,22,24,27)