3-[1-[2-(1-adamantyloxy)ethyl]-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid

Systemtic Name: 3-[1-[2-(1-adamantyloxy)ethyl]-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[2-(1-adamantyloxy)ethyl]-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[2-(1-adamantyloxy)ethyl]-5-(4-methoxyphenyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[2-(1-adamantyloxy)ethyl]-5-(4-methoxyphenyl)pyrrol-2-yl]propanoic acid Traditional Name: 3-[1-[2-(1-adamantyloxy)ethyl]-5-(4-methoxyphenyl)pyrrol-2-yl]propionic acid Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(N2CCOC34CC5CC(C3)CC(C5)C4)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(N2CCOC34CC5CC(C3)CC(C5)C4)CCC(=O)O

InChI

InChI=1S/C26H33NO4/c1-30-23-6-2-21(3-7-23)24-8-4-22(5-9-25(28)29)27(24)10-11-31-26-15-18-12-19(16-26)14-20(13-18)17-26/h2-4,6-8,18-20H,5,9-17H2,1H3,(H,28,29)