2-(2,2-dimethylpropanoyl)-1-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(2,2-dimethylpropanoyl)-1-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 1-benzyl-2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(2,2-dimethyl-1-oxopropyl)-1-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 1-benzyl-2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 1-benzyl-2-pivaloyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1C(CC2=CC=CC=C2C1CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C)(C)C(=O)N1C(CC2=CC=CC=C2C1CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H25NO3/c1-22(2,3)21(26)23-18(13-15-9-5-4-6-10-15)17-12-8-7-11-16(17)14-19(23)20(24)25/h4-12,18-19H,13-14H2,1-3H3,(H,24,25)