(Z)-6-[(4S,5R)-4-(3-hexylimidazol-4-yl)-2,2-dimethyl-1,3-dioxan-5-yl]hex-4-enoic acid

Systemtic Name: (Z)-6-[(4S,5R)-4-(3-hexylimidazol-4-yl)-2,2-dimethyl-1,3-dioxan-5-yl]hex-4-enoic acid Openeye Name: (Z)-6-[(4S,5R)-4-(3-hexylimidazol-4-yl)-2,2-dimethyl-1,3-dioxan-5-yl]hex-4-enoic acid CAS Name: (Z)-6-[(4S,5R)-4-(3-hexyl-4-imidazolyl)-2,2-dimethyl-1,3-dioxan-5-yl]-4-hexenoic acid IUPAC Name: (Z)-6-[(4S,5R)-4-(3-hexylimidazol-4-yl)-2,2-dimethyl-1,3-dioxan-5-yl]hex-4-enoic acid Traditional Name: (Z)-6-[(4S,5R)-4-(3-hexylimidazol-4-yl)-2,2-dimethyl-1,3-dioxan-5-yl]hex-4-enoic acid Formula: C21H34N2O4 MolecularWeight: 378.50566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=NC=C1C2C(COC(O2)(C)C)CC=CCCC(=O)O

Isomeric SMILES

CCCCCCN1C=NC=C1[C@@H]2[C@@H](COC(O2)(C)C)C/C=C\CCC(=O)O

InChI

InChI=1S/C21H34N2O4/c1-4-5-6-10-13-23-16-22-14-18(23)20-17(15-26-21(2,3)27-20)11-8-7-9-12-19(24)25/h7-8,14,16-17,20H,4-6,9-13,15H2,1-3H3,(H,24,25)/b8-7-/t17-,20+/m1/s1