3-(4-acetyloxyphenyl)adamantane-1-carboxylic acid

Systemtic Name: 3-(4-acetyloxyphenyl)adamantane-1-carboxylic acid Openeye Name: 3-(4-acetoxyphenyl)adamantane-1-carboxylic acid CAS Name: 3-(4-acetyloxyphenyl)-1-adamantanecarboxylic acid IUPAC Name: 3-(4-acetyloxyphenyl)adamantane-1-carboxylic acid Traditional Name: 3-(4-acetoxyphenyl)adamantane-1-carboxylic acid Formula: C19H22O4 MolecularWeight: 314.37558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)O

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)O

InChI

InChI=1S/C19H22O4/c1-12(20)23-16-4-2-15(3-5-16)18-7-13-6-14(8-18)10-19(9-13,11-18)17(21)22/h2-5,13-14H,6-11H2,1H3,(H,21,22)