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

Systemtic Name: 4-[[2-methyl-2-(4-pyridin-4-ylphenyl)propanoyl]amino]adamantane-1-carboxylic acid Openeye Name: 4-[[2-methyl-2-[4-(4-pyridyl)phenyl]propanoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[2-methyl-1-oxo-2-(4-pyridin-4-ylphenyl)propyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[2-methyl-2-(4-pyridin-4-ylphenyl)propanoyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[2-methyl-2-[4-(4-pyridyl)phenyl]propanoyl]amino]adamantane-1-carboxylic acid Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=C(C=C1)C2=CC=NC=C2)C(=O)NC3C4CC5CC3CC(C5)(C4)C(=O)O

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)C2=CC=NC=C2)C(=O)NC3C4CC5CC3CC(C5)(C4)C(=O)O

InChI

InChI=1S/C26H30N2O3/c1-25(2,21-5-3-17(4-6-21)18-7-9-27-10-8-18)23(29)28-22-19-11-16-12-20(22)15-26(13-16,14-19)24(30)31/h3-10,16,19-20,22H,11-15H2,1-2H3,(H,28,29)(H,30,31)