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

Systemtic Name: 4-[(2-methyl-2-phenoxy-propanoyl)amino]adamantane-1-carboxylic acid Openeye Name: 4-[(2-methyl-2-phenoxy-propanoyl)amino]adamantane-1-carboxylic acid CAS Name: 4-[(2-methyl-1-oxo-2-phenoxypropyl)amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[(2-methyl-2-phenoxypropanoyl)amino]adamantane-1-carboxylic acid Traditional Name: 4-[(2-methyl-2-phenoxy-propanoyl)amino]adamantane-1-carboxylic acid Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)O)OC4=CC=CC=C4

Isomeric SMILES

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)O)OC4=CC=CC=C4

InChI

InChI=1S/C21H27NO4/c1-20(2,26-16-6-4-3-5-7-16)18(23)22-17-14-8-13-9-15(17)12-21(10-13,11-14)19(24)25/h3-7,13-15,17H,8-12H2,1-2H3,(H,22,23)(H,24,25)