2-[2-(3-cyanophenyl)-2-adamantyl]ethanoic acid

Systemtic Name: 2-[2-(3-cyanophenyl)-2-adamantyl]ethanoic acid Openeye Name: 2-[2-(3-cyanophenyl)-2-adamantyl]acetic acid CAS Name: 2-[2-(3-cyanophenyl)-2-adamantyl]acetic acid IUPAC Name: 2-[2-(3-cyanophenyl)-2-adamantyl]acetic acid Traditional Name: 2-[2-(3-cyanophenyl)-2-adamantyl]acetic acid Formula: C19H21NO2 MolecularWeight: 295.37554

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3(CC(=O)O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)C3(CC(=O)O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C19H21NO2/c20-11-12-2-1-3-15(5-12)19(10-18(21)22)16-6-13-4-14(8-16)9-17(19)7-13/h1-3,5,13-14,16-17H,4,6-10H2,(H,21,22)