(3S)-2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3S)-2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3S)-2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-(2,2-dimethyl-1-oxopropyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3S)-2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-pivaloyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C15H18NO3- MolecularWeight: 260.30832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO3/c1-15(2,3)14(19)16-9-11-7-5-4-6-10(11)8-12(16)13(17)18/h4-7,12H,8-9H2,1-3H3,(H,17,18)/p-1/t12-/m0/s1