4-[[2-(2,3-dimethylphenoxy)-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid

Systemtic Name: 4-[[2-(2,3-dimethylphenoxy)-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid Openeye Name: 4-[[2-(2,3-dimethylphenoxy)-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[2-(2,3-dimethylphenoxy)-2-methyl-1-oxopropyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[2-(2,3-dimethylphenoxy)-2-methylpropanoyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[2-(2,3-dimethylphenoxy)-2-methyl-propanoyl]amino]adamantane-1-carboxylic acid Formula: C23H31NO4 MolecularWeight: 385.49654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OC(C)(C)C(=O)NC2C3CC4CC2CC(C4)(C3)C(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)OC(C)(C)C(=O)NC2C3CC4CC2CC(C4)(C3)C(=O)O)C

InChI

InChI=1S/C23H31NO4/c1-13-6-5-7-18(14(13)2)28-22(3,4)20(25)24-19-16-8-15-9-17(19)12-23(10-15,11-16)21(26)27/h5-7,15-17,19H,8-12H2,1-4H3,(H,24,25)(H,26,27)