2-methyl-2-[3-methyl-2-(2-methylpropanoyl)-4-phenyl-cinnolin-1-yl]propanoic acid

Systemtic Name: 2-methyl-2-[3-methyl-2-(2-methylpropanoyl)-4-phenyl-cinnolin-1-yl]propanoic acid Openeye Name: 2-methyl-2-[3-methyl-2-(2-methylpropanoyl)-4-phenyl-cinnolin-1-yl]propanoic acid CAS Name: 2-methyl-2-[3-methyl-2-(2-methyl-1-oxopropyl)-4-phenyl-1-cinnolinyl]propanoic acid IUPAC Name: 2-methyl-2-[3-methyl-2-(2-methylpropanoyl)-4-phenylcinnolin-1-yl]propanoic acid Traditional Name: 2-(2-isobutyryl-3-methyl-4-phenyl-cinnolin-1-yl)-2-methyl-propionic acid Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N(N1C(=O)C(C)C)C(C)(C)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=CC=CC=C2N(N1C(=O)C(C)C)C(C)(C)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C23H26N2O3/c1-15(2)21(26)24-16(3)20(17-11-7-6-8-12-17)18-13-9-10-14-19(18)25(24)23(4,5)22(27)28/h6-15H,1-5H3,(H,27,28)