4-[[2-methyl-2-(4-methylphenoxy)propanoyl]amino]adamantane-1-carboxylic acid

Systemtic Name: 4-[[2-methyl-2-(4-methylphenoxy)propanoyl]amino]adamantane-1-carboxylic acid Openeye Name: 4-[[2-methyl-2-(4-methylphenoxy)propanoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[2-methyl-2-(4-methylphenoxy)-1-oxopropyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[2-methyl-2-(4-methylphenoxy)propanoyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[2-methyl-2-(4-methylphenoxy)propanoyl]amino]adamantane-1-carboxylic acid Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO4/c1-13-4-6-17(7-5-13)27-21(2,3)19(24)23-18-15-8-14-9-16(18)12-22(10-14,11-15)20(25)26/h4-7,14-16,18H,8-12H2,1-3H3,(H,23,24)(H,25,26)