3-[1-[2-(1-adamantyloxy)ethyl]-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-[2-(1-adamantyloxy)ethyl]-5-thiophen-2-yl-pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[2-(1-adamantyloxy)ethyl]-5-(2-thienyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[2-(1-adamantyloxy)ethyl]-5-thiophen-2-yl-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[2-(1-adamantyloxy)ethyl]-5-thiophen-2-ylpyrrol-2-yl]propanoic acid Traditional Name: 3-[1-[2-(1-adamantyloxy)ethyl]-5-(2-thienyl)pyrrol-2-yl]propionic acid Formula: C23H29NO3S MolecularWeight: 399.54626

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OCCN4C(=CC=C4C5=CC=CS5)CCC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OCCN4C(=CC=C4C5=CC=CS5)CCC(=O)O

InChI

InChI=1S/C23H29NO3S/c25-22(26)6-4-19-3-5-20(21-2-1-9-28-21)24(19)7-8-27-23-13-16-10-17(14-23)12-18(11-16)15-23/h1-3,5,9,16-18H,4,6-8,10-15H2,(H,25,26)