(E)-3-[3-[1-(2-adamantyl)ethyl]-2-butyl-imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid

Systemtic Name: (E)-3-[3-[1-(2-adamantyl)ethyl]-2-butyl-imidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid Openeye Name: (E)-3-[3-[1-(2-adamantyl)ethyl]-2-butyl-imidazol-4-yl]-2-(2-thienylmethyl)prop-2-enoic acid CAS Name: (E)-3-[3-[1-(2-adamantyl)ethyl]-2-butyl-4-imidazolyl]-2-(thiophen-2-ylmethyl)-2-propenoic acid IUPAC Name: (E)-3-[3-[1-(2-adamantyl)ethyl]-2-butylimidazol-4-yl]-2-(thiophen-2-ylmethyl)prop-2-enoic acid Traditional Name: (E)-3-[3-[1-(2-adamantyl)ethyl]-2-butyl-imidazol-4-yl]-2-(2-thenyl)acrylic acid Formula: C27H36N2O2S MolecularWeight: 452.65194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1C(C)C2C3CC4CC(C3)CC2C4)C=C(CC5=CC=CS5)C(=O)O

Isomeric SMILES

CCCCC1=NC=C(N1C(C)C2C3CC4CC(C3)CC2C4)/C=C(\CC5=CC=CS5)/C(=O)O

InChI

InChI=1S/C27H36N2O2S/c1-3-4-7-25-28-16-23(14-22(27(30)31)15-24-6-5-8-32-24)29(25)17(2)26-20-10-18-9-19(12-20)13-21(26)11-18/h5-6,8,14,16-21,26H,3-4,7,9-13,15H2,1-2H3,(H,30,31)/b22-14+