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

Systemtic Name: (Z)-6-[2-(2-methyl-1-phenyl-propan-2-yl)-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid Openeye Name: (Z)-6-[2-(1,1-dimethyl-2-phenyl-ethyl)-4-(3-pyridyl)-1,3-dioxan-5-yl]hex-4-enoic acid CAS Name: (Z)-6-[2-(2-methyl-1-phenylpropan-2-yl)-4-(3-pyridinyl)-1,3-dioxan-5-yl]-4-hexenoic acid IUPAC Name: (Z)-6-[2-(2-methyl-1-phenylpropan-2-yl)-4-pyridin-3-yl-1,3-dioxan-5-yl]hex-4-enoic acid Traditional Name: (Z)-6-[2-(1,1-dimethyl-2-phenyl-ethyl)-4-(3-pyridyl)-1,3-dioxan-5-yl]hex-4-enoic acid Formula: C25H31NO4 MolecularWeight: 409.51794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=CC=C1)C2OCC(C(O2)C3=CN=CC=C3)CC=CCCC(=O)O

Isomeric SMILES

CC(C)(CC1=CC=CC=C1)C2OCC(C(O2)C3=CN=CC=C3)C/C=C\CCC(=O)O

InChI

InChI=1S/C25H31NO4/c1-25(2,16-19-10-5-3-6-11-19)24-29-18-21(12-7-4-8-14-22(27)28)23(30-24)20-13-9-15-26-17-20/h3-7,9-11,13,15,17,21,23-24H,8,12,14,16,18H2,1-2H3,(H,27,28)/b7-4-