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

Systemtic Name: 4-[[2-methyl-2-[4-(1-methylpyrazol-4-yl)phenyl]propanoyl]amino]adamantane-1-carboxylic acid Openeye Name: 4-[[2-methyl-2-[4-(1-methylpyrazol-4-yl)phenyl]propanoyl]amino]adamantane-1-carboxylic acid CAS Name: 4-[[2-methyl-2-[4-(1-methyl-4-pyrazolyl)phenyl]-1-oxopropyl]amino]-1-adamantanecarboxylic acid IUPAC Name: 4-[[2-methyl-2-[4-(1-methylpyrazol-4-yl)phenyl]propanoyl]amino]adamantane-1-carboxylic acid Traditional Name: 4-[[2-methyl-2-[4-(1-methylpyrazol-4-yl)phenyl]propanoyl]amino]adamantane-1-carboxylic acid Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3/c1-24(2,20-6-4-16(5-7-20)19-13-26-28(3)14-19)22(29)27-21-17-8-15-9-18(21)12-25(10-15,11-17)23(30)31/h4-7,13-15,17-18,21H,8-12H2,1-3H3,(H,27,29)(H,30,31)