methyl 4-[[3-(2-acetamidophenoxy)-2-oxidanyl-propyl]-pyrimidin-2-yl-amino]butanoate

Systemtic Name: methyl 4-[[3-(2-acetamidophenoxy)-2-oxidanyl-propyl]-pyrimidin-2-yl-amino]butanoate Openeye Name: methyl 4-[[3-(2-acetamidophenoxy)-2-hydroxy-propyl]-pyrimidin-2-yl-amino]butanoate CAS Name: 4-[[3-(2-acetamidophenoxy)-2-hydroxypropyl]-(2-pyrimidinyl)amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-acetamidophenoxy)-2-hydroxypropyl]-pyrimidin-2-ylamino]butanoate Traditional Name: 4-[[3-(2-acetamidophenoxy)-2-hydroxy-propyl]-(2-pyrimidyl)amino]butyric acid methyl ester Formula: C20H26N4O5 MolecularWeight: 402.44424

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1OCC(CN(CCCC(=O)OC)C2=NC=CC=N2)O

Isomeric SMILES

CC(=O)NC1=CC=CC=C1OCC(CN(CCCC(=O)OC)C2=NC=CC=N2)O

InChI

InChI=1S/C20H26N4O5/c1-15(25)23-17-7-3-4-8-18(17)29-14-16(26)13-24(12-5-9-19(27)28-2)20-21-10-6-11-22-20/h3-4,6-8,10-11,16,26H,5,9,12-14H2,1-2H3,(H,23,25)