4-[4-(1-adamantyl)-2-chloranyl-phenoxy]butanoic acid

Systemtic Name: 4-[4-(1-adamantyl)-2-chloranyl-phenoxy]butanoic acid Openeye Name: 4-[4-(1-adamantyl)-2-chloro-phenoxy]butanoic acid CAS Name: 4-[4-(1-adamantyl)-2-chlorophenoxy]butanoic acid IUPAC Name: 4-[4-(1-adamantyl)-2-chlorophenoxy]butanoic acid Traditional Name: 4-[4-(1-adamantyl)-2-chloro-phenoxy]butyric acid Formula: C20H25ClO3 MolecularWeight: 348.8637

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C=C4)OCCCC(=O)O)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C=C4)OCCCC(=O)O)Cl

InChI

InChI=1S/C20H25ClO3/c21-17-9-16(3-4-18(17)24-5-1-2-19(22)23)20-10-13-6-14(11-20)8-15(7-13)12-20/h3-4,9,13-15H,1-2,5-8,10-12H2,(H,22,23)