2-(2,2-dimethylpropanoyl)-1-[oxidanyl(phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(2,2-dimethylpropanoyl)-1-[oxidanyl(phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(2,2-dimethylpropanoyl)-1-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(2,2-dimethyl-1-oxopropyl)-1-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(2,2-dimethylpropanoyl)-1-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 1-[hydroxy(phenyl)methyl]-2-pivaloyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1C(CC2=CC=CC=C2C1C(C3=CC=CC=C3)O)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)N1C(CC2=CC=CC=C2C1C(C3=CC=CC=C3)O)C(=O)O

InChI

InChI=1S/C22H25NO4/c1-22(2,3)21(27)23-17(20(25)26)13-15-11-7-8-12-16(15)18(23)19(24)14-9-5-4-6-10-14/h4-12,17-19,24H,13H2,1-3H3,(H,25,26)