2-methyl-2-[2-(2-methylpropanoyl)-1H-isoquinolin-1-yl]propanoic acid

Systemtic Name: 2-methyl-2-[2-(2-methylpropanoyl)-1H-isoquinolin-1-yl]propanoic acid Openeye Name: 2-methyl-2-[2-(2-methylpropanoyl)-1H-isoquinolin-1-yl]propanoic acid CAS Name: 2-methyl-2-[2-(2-methyl-1-oxopropyl)-1H-isoquinolin-1-yl]propanoic acid IUPAC Name: 2-methyl-2-[2-(2-methylpropanoyl)-1H-isoquinolin-1-yl]propanoic acid Traditional Name: 2-(2-isobutyryl-1H-isoquinolin-1-yl)-2-methyl-propionic acid Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1C=CC2=CC=CC=C2C1C(C)(C)C(=O)O

Isomeric SMILES

CC(C)C(=O)N1C=CC2=CC=CC=C2C1C(C)(C)C(=O)O

InChI

InChI=1S/C17H21NO3/c1-11(2)15(19)18-10-9-12-7-5-6-8-13(12)14(18)17(3,4)16(20)21/h5-11,14H,1-4H3,(H,20,21)