[4-[2-(3-propoxyphenyl)pyrimidin-5-yl]phenyl] (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate

Systemtic Name: [4-[2-(3-propoxyphenyl)pyrimidin-5-yl]phenyl] (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate Openeye Name: [4-[2-(3-propoxyphenyl)pyrimidin-5-yl]phenyl] (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate CAS Name: (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid [4-[2-(3-propoxyphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(3-propoxyphenyl)pyrimidin-5-yl]phenyl] (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate Traditional Name: (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid [4-[2-(3-propoxyphenyl)pyrimidin-5-yl]phenyl] ester Formula: C25H26N2O5 MolecularWeight: 434.48434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)C4COC(O4)(C)C

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)[C@@H]4COC(O4)(C)C

InChI

InChI=1S/C25H26N2O5/c1-4-12-29-21-7-5-6-18(13-21)23-26-14-19(15-27-23)17-8-10-20(11-9-17)31-24(28)22-16-30-25(2,3)32-22/h5-11,13-15,22H,4,12,16H2,1-3H3/t22-/m0/s1