(3S)-2-(3,3-dimethylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3S)-2-(3,3-dimethylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-(3,3-dimethylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-(3,3-dimethyl-1-oxobutyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-(3,3-dimethylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-(3,3-dimethylbutanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)O

Isomeric SMILES

CC(C)(C)CC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)O

InChI

InChI=1S/C16H21NO3/c1-16(2,3)9-14(18)17-10-12-7-5-4-6-11(12)8-13(17)15(19)20/h4-7,13H,8-10H2,1-3H3,(H,19,20)/t13-/m0/s1