3-acetyloxy-3-[3-[2-(1-adamantyl)ethyl]-2-butyl-imidazol-4-yl]-2-(thiophen-2-ylmethyl)propanoic acid

Systemtic Name: 3-acetyloxy-3-[3-[2-(1-adamantyl)ethyl]-2-butyl-imidazol-4-yl]-2-(thiophen-2-ylmethyl)propanoic acid Openeye Name: 3-acetoxy-3-[3-[2-(1-adamantyl)ethyl]-2-butyl-imidazol-4-yl]-2-(2-thienylmethyl)propanoic acid CAS Name: 3-acetyloxy-3-[3-[2-(1-adamantyl)ethyl]-2-butyl-4-imidazolyl]-2-(thiophen-2-ylmethyl)propanoic acid IUPAC Name: 3-acetyloxy-3-[3-[2-(1-adamantyl)ethyl]-2-butylimidazol-4-yl]-2-(thiophen-2-ylmethyl)propanoic acid Traditional Name: 3-acetoxy-3-[3-[2-(1-adamantyl)ethyl]-2-butyl-imidazol-4-yl]-2-(2-thenyl)propionic acid Formula: C29H40N2O4S MolecularWeight: 512.7039

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(N1CCC23CC4CC(C2)CC(C4)C3)C(C(CC5=CC=CS5)C(=O)O)OC(=O)C

Isomeric SMILES

CCCCC1=NC=C(N1CCC23CC4CC(C2)CC(C4)C3)C(C(CC5=CC=CS5)C(=O)O)OC(=O)C

InChI

InChI=1S/C29H40N2O4S/c1-3-4-7-26-30-18-25(27(35-19(2)32)24(28(33)34)14-23-6-5-10-36-23)31(26)9-8-29-15-20-11-21(16-29)13-22(12-20)17-29/h5-6,10,18,20-22,24,27H,3-4,7-9,11-17H2,1-2H3,(H,33,34)