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

Systemtic Name: 3-[1-[2-(1-adamantyloxy)ethyl]-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid Openeye Name: 3-[1-[2-(1-adamantyloxy)ethyl]-5-(p-tolyl)pyrrol-2-yl]propanoic acid CAS Name: 3-[1-[2-(1-adamantyloxy)ethyl]-5-(4-methylphenyl)-2-pyrrolyl]propanoic acid IUPAC Name: 3-[1-[2-(1-adamantyloxy)ethyl]-5-(4-methylphenyl)pyrrol-2-yl]propanoic acid Traditional Name: 3-[1-[2-(1-adamantyloxy)ethyl]-5-(p-tolyl)pyrrol-2-yl]propionic acid Formula: C26H33NO3 MolecularWeight: 407.54512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(N2CCOC34CC5CC(C3)CC(C5)C4)CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(N2CCOC34CC5CC(C3)CC(C5)C4)CCC(=O)O

InChI

InChI=1S/C26H33NO3/c1-18-2-4-22(5-3-18)24-8-6-23(7-9-25(28)29)27(24)10-11-30-26-15-19-12-20(16-26)14-21(13-19)17-26/h2-6,8,19-21H,7,9-17H2,1H3,(H,28,29)