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

Systemtic Name: (Z)-6-[2-(2-chlorophenyl)-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid Openeye Name: (Z)-6-[2-(2-chlorophenyl)-4-(3-pyridyl)-1,3-dioxan-5-yl]hex-4-enoic acid CAS Name: (Z)-6-[2-(2-chlorophenyl)-4-(3-pyridinyl)-1,3-dioxan-5-yl]-4-hexenoic acid IUPAC Name: (Z)-6-[2-(2-chlorophenyl)-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid Traditional Name: (Z)-6-[2-(2-chlorophenyl)-4-(3-pyridyl)-1,3-dioxan-5-yl]hex-4-enoic acid Formula: C21H22ClNO4 MolecularWeight: 387.85668

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC(O1)C2=CC=CC=C2Cl)C3=CN=CC=C3)CC=CCCC(=O)O

Isomeric SMILES

C1C(C(OC(O1)C2=CC=CC=C2Cl)C3=CN=CC=C3)C/C=C\CCC(=O)O

InChI

InChI=1S/C21H22ClNO4/c22-18-10-5-4-9-17(18)21-26-14-16(7-2-1-3-11-19(24)25)20(27-21)15-8-6-12-23-13-15/h1-2,4-6,8-10,12-13,16,20-21H,3,7,11,14H2,(H,24,25)/b2-1-