4-[[2-(4,4-dimethylcyclohexyl)oxy-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid

Systemtic Name: 4-[[2-(4,4-dimethylcyclohexyl)oxy-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid Openeye Name: 4-[[2-(4,4-dimethylcyclohexoxy)-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[2-(4,4-dimethylcyclohexyl)oxy-2-methyl-1-oxopropyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[2-(4,4-dimethylcyclohexyl)oxy-2-methylpropanoyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[2-(4,4-dimethylcyclohexoxy)-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid Formula: C23H37NO4 MolecularWeight: 391.54418

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)OC(C)(C)C(=O)NC2C3CC4CC2CC(C4)(C3)C(=O)O)C

Isomeric SMILES

CC1(CCC(CC1)OC(C)(C)C(=O)NC2C3CC4CC2CC(C4)(C3)C(=O)O)C

InChI

InChI=1S/C23H37NO4/c1-21(2)7-5-17(6-8-21)28-22(3,4)19(25)24-18-15-9-14-10-16(18)13-23(11-14,12-15)20(26)27/h14-18H,5-13H2,1-4H3,(H,24,25)(H,26,27)