4-[[2-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]propanoyl]amino]adamantane-1-carboxylic acid

Systemtic Name: 4-[[2-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]propanoyl]amino]adamantane-1-carboxylic acid Openeye Name: 4-[[2-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]propanoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[2-methyl-1-oxo-2-[4-(1H-pyrazol-4-yl)phenyl]propyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[2-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]propanoyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[2-methyl-2-[4-(1H-pyrazol-4-yl)phenyl]propanoyl]amino]adamantane-1-carboxylic acid Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N3O3/c1-23(2,19-5-3-15(4-6-19)18-12-25-26-13-18)21(28)27-20-16-7-14-8-17(20)11-24(9-14,10-16)22(29)30/h3-6,12-14,16-17,20H,7-11H2,1-2H3,(H,25,26)(H,27,28)(H,29,30)