[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-pentoxyphenyl)butanoate

Systemtic Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-pentoxyphenyl)butanoate Openeye Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxo-ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate CAS Name: 4-oxo-4-(4-pentoxyphenyl)butanoic acid [2-[(4,6-dimethoxy-2-pyrimidinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate Traditional Name: 4-(4-amoxyphenyl)-4-keto-butyric acid [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-keto-ethyl] ester Formula: C23H29N3O7 MolecularWeight: 459.49226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=NC(=CC(=N2)OC)OC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=NC(=CC(=N2)OC)OC

InChI

InChI=1S/C23H29N3O7/c1-4-5-6-13-32-17-9-7-16(8-10-17)18(27)11-12-22(29)33-15-19(28)24-23-25-20(30-2)14-21(26-23)31-3/h7-10,14H,4-6,11-13,15H2,1-3H3,(H,24,25,26,28)