5-[4-(1-adamantyl)phenoxy]pentanoic acid

Systemtic Name: 5-[4-(1-adamantyl)phenoxy]pentanoic acid Openeye Name: 5-[4-(1-adamantyl)phenoxy]pentanoic acid CAS Name: 5-[4-(1-adamantyl)phenoxy]pentanoic acid IUPAC Name: 5-[4-(1-adamantyl)phenoxy]pentanoic acid Traditional Name: 5-[4-(1-adamantyl)phenoxy]valeric acid Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OCCCCC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)OCCCCC(=O)O

InChI

InChI=1S/C21H28O3/c22-20(23)3-1-2-8-24-19-6-4-18(5-7-19)21-12-15-9-16(13-21)11-17(10-15)14-21/h4-7,15-17H,1-3,8-14H2,(H,22,23)