4-[2-(1-adamantyl)-5-methyl-phenoxy]butanoic acid

Systemtic Name: 4-[2-(1-adamantyl)-5-methyl-phenoxy]butanoic acid Openeye Name: 4-[2-(1-adamantyl)-5-methyl-phenoxy]butanoic acid CAS Name: 4-[2-(1-adamantyl)-5-methylphenoxy]butanoic acid IUPAC Name: 4-[2-(1-adamantyl)-5-methylphenoxy]butanoic acid Traditional Name: 4-[2-(1-adamantyl)-5-methyl-phenoxy]butyric acid Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C23CC4CC(C2)CC(C4)C3)OCCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C23CC4CC(C2)CC(C4)C3)OCCCC(=O)O

InChI

InChI=1S/C21H28O3/c1-14-4-5-18(19(7-14)24-6-2-3-20(22)23)21-11-15-8-16(12-21)10-17(9-15)13-21/h4-5,7,15-17H,2-3,6,8-13H2,1H3,(H,22,23)