methyl 3-[3-[2-(1-adamantyl)ethyl]-2-butyl-imidazol-4-yl]-3-oxidanyl-2-(thiophen-2-ylmethyl)propanoate

Systemtic Name: methyl 3-[3-[2-(1-adamantyl)ethyl]-2-butyl-imidazol-4-yl]-3-oxidanyl-2-(thiophen-2-ylmethyl)propanoate Openeye Name: methyl 3-[3-[2-(1-adamantyl)ethyl]-2-butyl-imidazol-4-yl]-3-hydroxy-2-(2-thienylmethyl)propanoate CAS Name: 3-[3-[2-(1-adamantyl)ethyl]-2-butyl-4-imidazolyl]-3-hydroxy-2-(thiophen-2-ylmethyl)propanoic acid methyl ester IUPAC Name: methyl 3-[3-[2-(1-adamantyl)ethyl]-2-butylimidazol-4-yl]-3-hydroxy-2-(thiophen-2-ylmethyl)propanoate Traditional Name: 3-[3-[2-(1-adamantyl)ethyl]-2-butyl-imidazol-4-yl]-3-hydroxy-2-(2-thenyl)propionic acid methyl ester Formula: C28H40N2O3S MolecularWeight: 484.6938

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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)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C28H40N2O3S/c1-3-4-7-25-29-18-24(26(31)23(27(32)33-2)14-22-6-5-10-34-22)30(25)9-8-28-15-19-11-20(16-28)13-21(12-19)17-28/h5-6,10,18-21,23,26,31H,3-4,7-9,11-17H2,1-2H3