(2S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propanoyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanoyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-propanoyl]proline Formula: C18H24N2O3 MolecularWeight: 316.39476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCCC1C(=O)O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)(C(=O)N1CCC[C@H]1C(=O)O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H24N2O3/c1-18(2,17(23)20-10-5-8-15(20)16(21)22)19-11-9-13-6-3-4-7-14(13)12-19/h3-4,6-7,15H,5,8-12H2,1-2H3,(H,21,22)/t15-/m0/s1