methyl 2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-oxidanylidene-butanoate Openeye Name: methyl 2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-oxo-butanoate CAS Name: 2-[2-[[6-(2-cyanophenoxy)-4-pyrimidinyl]oxy]phenyl]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-oxobutanoate Traditional Name: 2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-keto-butyric acid methyl ester Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)C(=O)OC

Isomeric SMILES

CC(=O)C(C1=CC=CC=C1OC2=NC=NC(=C2)OC3=CC=CC=C3C#N)C(=O)OC

InChI

InChI=1S/C22H17N3O5/c1-14(26)21(22(27)28-2)16-8-4-6-10-18(16)30-20-11-19(24-13-25-20)29-17-9-5-3-7-15(17)12-23/h3-11,13,21H,1-2H3