4-(carboxymethyl)-4-(4-fluorophenyl)adamantane-1-carboxylic acid

Systemtic Name: 4-(carboxymethyl)-4-(4-fluorophenyl)adamantane-1-carboxylic acid Openeye Name: 4-(carboxymethyl)-4-(4-fluorophenyl)adamantane-1-carboxylic acid CAS Name: 4-(carboxymethyl)-4-(4-fluorophenyl)-1-adamantanecarboxylic acid IUPAC Name: 4-(carboxymethyl)-4-(4-fluorophenyl)adamantane-1-carboxylic acid Traditional Name: 4-(carboxymethyl)-4-(4-fluorophenyl)adamantane-1-carboxylic acid Formula: C19H21FO4 MolecularWeight: 332.366043

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3(CC(=O)O)C4=CC=C(C=C4)F)C(=O)O

Isomeric SMILES

C1C2CC3CC(C2)(CC1C3(CC(=O)O)C4=CC=C(C=C4)F)C(=O)O

InChI

InChI=1S/C19H21FO4/c20-15-3-1-12(2-4-15)19(10-16(21)22)13-5-11-6-14(19)9-18(7-11,8-13)17(23)24/h1-4,11,13-14H,5-10H2,(H,21,22)(H,23,24)