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

Systemtic Name: 4-[[2-methyl-2-(3-phenylphenoxy)propanoyl]amino]adamantane-1-carboxylic acid Openeye Name: 4-[[2-methyl-2-(3-phenylphenoxy)propanoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[2-methyl-1-oxo-2-(3-phenylphenoxy)propyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[2-methyl-2-(3-phenylphenoxy)propanoyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[2-methyl-2-(3-phenylphenoxy)propanoyl]amino]adamantane-1-carboxylic acid Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)O)OC4=CC=CC(=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)O)OC4=CC=CC(=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H31NO4/c1-26(2,32-22-10-6-9-19(13-22)18-7-4-3-5-8-18)24(29)28-23-20-11-17-12-21(23)16-27(14-17,15-20)25(30)31/h3-10,13,17,20-21,23H,11-12,14-16H2,1-2H3,(H,28,29)(H,30,31)