3-[2-(dibutylamino)-2-oxidanylidene-ethoxy]-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-diphenyl-propanoic acid

Systemtic Name: 3-[2-(dibutylamino)-2-oxidanylidene-ethoxy]-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-diphenyl-propanoic acid Openeye Name: 3-[2-(dibutylamino)-2-oxo-ethoxy]-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-diphenyl-propanoic acid CAS Name: 3-[2-(dibutylamino)-2-oxoethoxy]-2-[(4,6-dimethyl-2-pyrimidinyl)oxy]-3,3-diphenylpropanoic acid IUPAC Name: 3-[2-(dibutylamino)-2-oxoethoxy]-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid Traditional Name: 3-[2-(dibutylamino)-2-keto-ethoxy]-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-diphenyl-propionic acid Formula: C31H39N3O5 MolecularWeight: 533.65846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)COC(C1=CC=CC=C1)(C2=CC=CC=C2)C(C(=O)O)OC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCCCN(CCCC)C(=O)COC(C1=CC=CC=C1)(C2=CC=CC=C2)C(C(=O)O)OC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C31H39N3O5/c1-5-7-19-34(20-8-6-2)27(35)22-38-31(25-15-11-9-12-16-25,26-17-13-10-14-18-26)28(29(36)37)39-30-32-23(3)21-24(4)33-30/h9-18,21,28H,5-8,19-20,22H2,1-4H3,(H,36,37)