(Z)-6-[2-(2-cyanophenyl)-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid

Systemtic Name: (Z)-6-[2-(2-cyanophenyl)-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid Openeye Name: (Z)-6-[2-(2-cyanophenyl)-4-(3-pyridyl)-1,3-dioxan-5-yl]hex-4-enoic acid CAS Name: (Z)-6-[2-(2-cyanophenyl)-4-(3-pyridinyl)-1,3-dioxan-5-yl]-4-hexenoic acid IUPAC Name: (Z)-6-[2-(2-cyanophenyl)-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid Traditional Name: (Z)-6-[2-(2-cyanophenyl)-4-(3-pyridyl)-1,3-dioxan-5-yl]hex-4-enoic acid Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC(O1)C2=CC=CC=C2C#N)C3=CN=CC=C3)CC=CCCC(=O)O

Isomeric SMILES

C1C(C(OC(O1)C2=CC=CC=C2C#N)C3=CN=CC=C3)C/C=C\CCC(=O)O

InChI

InChI=1S/C22H22N2O4/c23-13-16-7-4-5-10-19(16)22-27-15-18(8-2-1-3-11-20(25)26)21(28-22)17-9-6-12-24-14-17/h1-2,4-7,9-10,12,14,18,21-22H,3,8,11,15H2,(H,25,26)/b2-1-