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

Systemtic Name: 4-[[2-methyl-2-(4-pyridin-3-ylphenyl)propanoyl]amino]adamantane-1-carboxylic acid Openeye Name: 4-[[2-methyl-2-[4-(3-pyridyl)phenyl]propanoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[2-methyl-1-oxo-2-[4-(3-pyridinyl)phenyl]propyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[2-methyl-2-(4-pyridin-3-ylphenyl)propanoyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[2-methyl-2-[4-(3-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=CN=CC=C2)C(=O)NC3C4CC5CC3CC(C5)(C4)C(=O)O

Isomeric SMILES

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

InChI

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